SCHEMBL433693

SCHEMBL433693

COC(=O)CC(C)(C)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
ESRRG P62508 3/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
TYR P14679 1/20 0.43
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL1524169 0.85 RAB9A (0.47) CYP3A4LMNAHPGDTSHRHSD17B10
SCHEMBL4715047 0.85 LMNA (0.39) LMNAHSD17B10ALDH1A1CNR1CNR2
SCHEMBL20717103 0.85 ESR1 (0.51) SHBGESR1ESR2ESRRGCYP3A4
SCHEMBL2723561 0.84 ALDH1A1 (0.54) LMNAHSD17B10ALDH1A1CA1CA2
SCHEMBL13654326 0.84 MAPT (0.46) ESRRGCYP3A4LMNAHPGDHSD17B10
SCHEMBL18111500 0.84 KMT2A (0.45) LMNAHPGDALDH1A1CA12CA2
SCHEMBL156185 0.83 KCNN4 (0.50) LMNATSHRALDH1A1ME2ME1
SCHEMBL1020012 0.82 SRD5A2 (0.49) LMNATSHRHSD17B10ALDH1A1CA1
SCHEMBL12419945 0.82 ALDH1A1 (0.46) ESR1ESR2LMNAHPGDTSHR
SCHEMBL2304250 0.82 KMT2A (0.49) SHBGESR1ESR2ESRRGCYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
CN-103228622-B The agonist of GPR40 CONNEXIOS LIFE SCIENCES Pvt.,Ltd. (IN) 2016-01-20 CN disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
CN-103228622-A Agonists of gpr40 CONNEXIOS LIFE SCIENCES PVT LTD 2013-07-31 CN disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO 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 (2 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 SHBG 757/4885ESR1 231/4885ESR2 183/4885
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 SHBG 936/4885ESR1 85/4885ESR2 222/4885

“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.