SCHEMBL3328547

SCHEMBL3328547

[CH2]c1ccccc1C(=C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NAPRT Q6XQN6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 2/20 0.35
AKR1C3 P42330 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL11123891 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL142530 0.78 ALDH1A1 (0.65) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL30231535 0.77 KDM4E (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL928902 0.77 KDM4E (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL3438786 0.76 ALDH1A1 (0.42) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL10346045 0.76 CES2 (0.58) ALDH1A1ALOX15HPGDMAPTERCC5
SCHEMBL367697 0.76 ERCC5 (0.53) ALDH1A1ALOX15KDM4EHPGDSMN1; SMN2
SCHEMBL1497441 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDSMN1; SMN2POLB
SCHEMBL4804676 0.76 ALDH1A1 (0.42) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL6472175 0.76 MEN1 (0.50) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US claimed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US claimed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP claimed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 ALDH1A1 453/4885ALOX15 4009/4885CA12 3349/4885
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 ALDH1A1 2098/4885ALOX15 314/4885CA12 4149/4885

“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.