Sugi Predict

Sugi Predict / Compounds / SCHEMBL1325895

SCHEMBL1325895

SCHEMBL1325895

c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NISCH Q9Y2I1 1/20 0.35
▸ CYP11B1 P15538 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.33
▸ CYP1B1 Q16678 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPRT1 P00492 1/20 0.31
▸ NPY5R Q15761 1/20 0.30
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL27988564 0.85 HTR1A (0.39) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL5608644 0.84 HTR7 (0.37) ALDH1A1NISCHEPHX1KDM4ESMN1; SMN2
SCHEMBL1453442 0.84 TRPM4 (0.37) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL520084 0.83 BCHE (0.37) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL28223174 0.78 DNMT1 (0.35) ALDH1A1NISCHEPHX1KDM4ESMN1; SMN2
SCHEMBL303124 0.77 ALDH1A1 (0.39) ALDH1A1HIF1AHSD17B10TSHRCYP1B1
SCHEMBL8614470 0.74 SALL4 (0.43) ALDH1A1HIF1AHSD17B10CYP1A2POLB
SCHEMBL3277103 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCASP1L3MBTL1
SCHEMBL29391022 0.74 S1PR1 (0.36) SMN1; SMN2
SCHEMBL197441 0.74 S1PR1 (0.36) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622967-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-01 — — EP disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 — — US disclosed
WO-2006102620-A2 TWISTED π-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES NORTHWESTERN UNIVERSITY (US) 2006-09-28 — — WO disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 — — US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 — — US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 — — US disclosed
EP-1485384-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS Pharmacia & Upjohn Company LLC (US) 2004-12-15 — — EP disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 — — EP disclosed
US-20040002511-A1 Novel pyrazolo[1,5-a]pyridine derivatives and their use as neurotransmitter modulators PHARMACIA & UPJOHN COMPANY 2004-01-01 — — US disclosed
WO-2003078435-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS PHARMACIA & UPJOHN COMPANY LLC (US) 2003-09-25 — — WO disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 — — US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 — — 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 (7 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885HIF1A 2699/4885HSD17B10 3627/4885
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A ALDH1A1 265/4885HIF1A 1403/4885HSD17B10 982/4885
US-20040002511-A1 Novel pyrazolo[1,5-a]pyridine derivatives and their use as neurotransmitter modulators CRHR1, HTR5A, CRH ALDH1A1 911/4885HIF1A 357/4885HSD17B10 3966/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885HIF1A 2699/4885HSD17B10 3627/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885HIF1A 2699/4885HSD17B10 3627/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A ALDH1A1 265/4885HIF1A 1403/4885HSD17B10 982/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885HIF1A 2699/4885HSD17B10 3627/4885

“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.