SCHEMBL7109725

SCHEMBL7109725

O=C1Cc2ccccc2Sc2cc(O)cc(O)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
BLM P54132 1/20 0.41
PTGS2 P35354 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7117481 0.85 ALDH1A1 (0.52) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14098170 0.84 ESR1 (0.43) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14098159 0.84 ALDH1A1 (0.45) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL5099941 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14098066 0.81 HPGD (0.48) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL5113355 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14098067 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL5103552 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14098171 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4EKMT2A
SCHEMBL14138483 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207837-B1 REACTING HALOGEN-SUBSTITUTED PHENYL DERIVATIVE WITH A DISULFIDE COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-03-27 US claimed
EP-1026153-A1 NOVEL PROCESS FOR PRODUCING DIBENZO[b,f]THIEPINE DERIVATIVES Nippon Suisan Kaisha, Ltd. (JP) 2000-08-09 EP claimed
US-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
US-6207837-B1 REACTING HALOGEN-SUBSTITUTED PHENYL DERIVATIVE WITH A DISULFIDE COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-03-27 US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-1026153-A1 NOVEL PROCESS FOR PRODUCING DIBENZO[b,f]THIEPINE DERIVATIVES Nippon Suisan Kaisha, Ltd. (JP) 2000-08-09 EP disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 EP 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 (1 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B ALDH1A1 2363/4885LMNA 1131/4885HPGD 1148/4885

“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.