Sugi Predict

Sugi Predict / Compounds / SCHEMBL452938

SCHEMBL452938

SCHEMBL452938

O=Cc1ccc(C(c2ccc(CBr)cc2)(c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ CYP2A6 P11509 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A3 P47895 2/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TYR P14679 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ RAB9A P51151 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL190098 0.87 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL24197431 0.83 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL28718982 0.82 TSHR (0.48) ALDH1A1TSHRTRPA1TP53CES2
SCHEMBL19218156 0.82 CYP2A6 (0.50) EPHX2NR1H4CYP2A6HSD17B10ALDH5A1
SCHEMBL3360115 0.81 DRD1 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL452554 0.74 ALDH1A1 (0.40) CYP2A6ALDH1A1TSHRTRPA1CES2
SCHEMBL9883874 0.74 ALDH1A1 (0.59) EPHX2NR1H4CYP2A6HSD17B10ALDH5A1
SCHEMBL5562562 0.73 TYR (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Benzyl Bromide SCHEMBL30423789 0.72 ALDH1A1 (0.64) CYP2A6ALDH1A1LMNATSHRTRPA1
SCHEMBL10101758 0.72 TYR (0.41) EPHX2NR1H4CYP2A6HSD17B10ALDH5A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001273-A2 AMINOPYRIMIDINES AS ALK INHIBITORS The Regents Of The University Of Michigan (US) 2022-05-25 — — EP disclosed
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 — — US disclosed
US-11110090-B2 Aminopyrimidines as ALK inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-09-07 — — US disclosed
EP-3421458-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-11-11 — — EP disclosed
US-20200330464-A1 AMINOPYRIMIDINES AS ALK INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-10-22 — — US disclosed
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-10-08 — — US disclosed
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-08-04 — — US disclosed
US-10709705-B2 Aminopyrimidines as ALK inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-14 — — US disclosed
US-20190175595-A1 AMINOPYRIMIDINES AS ALK INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-06-13 — — US disclosed
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2019-05-23 — — US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 — — US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 — — US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 — — US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 — — US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 — — US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 — — US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 — — US disclosed
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S 2007-03-08 — — US disclosed
US-7148361-B2 For the production of solar cells and molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2006-12-12 — — US disclosed
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885CYP2A6 1097/4885
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 EPHX2 1256/4885NR1H4 77/4885CYP2A6 2060/4885
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 EPHX2 1256/4885NR1H4 77/4885CYP2A6 2060/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885CYP2A6 1097/4885
US-20200330464-A1 AMINOPYRIMIDINES AS ALK INHIBITORS ALK, RET, BRAF EPHX2 3747/4885NR1H4 2875/4885CYP2A6 452/4885
US-11110090-B2 Aminopyrimidines as ALK inhibitors ALK, RET, BRAF EPHX2 3747/4885NR1H4 2875/4885CYP2A6 452/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885CYP2A6 1097/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885CYP2A6 1097/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 EPHX2 1256/4885NR1H4 77/4885CYP2A6 2060/4885
US-20190175595-A1 AMINOPYRIMIDINES AS ALK INHIBITORS ALK, RET, BRAF EPHX2 3747/4885NR1H4 2875/4885CYP2A6 452/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885CYP2A6 1097/4885
US-10709705-B2 Aminopyrimidines as ALK inhibitors ALK, RET, BRAF EPHX2 3747/4885NR1H4 2875/4885CYP2A6 452/4885
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 EPHX2 1256/4885NR1H4 77/4885CYP2A6 2060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.