SCHEMBL5854508

SCHEMBL5854508

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
ROR1 Q01973 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAOB P27338 10/20 0.36
MAOA P21397 3/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
GRM5 P41594 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL5854730 0.93 CYP19A1 (0.38) CYP19A1ROR1KCNH2TRPV1MAOB
SCHEMBL5856692 0.91 MAOB (0.52) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL5855991 0.83 CYP19A1 (0.47) CYP19A1KCNH2TRPV1MAOBALDH1A1
SCHEMBL5854453 0.82 CYP19A1 (0.36) CYP19A1ROR1KCNH2TRPV1MAOB
SCHEMBL5855367 0.77 MAOB (0.44) CYP19A1MAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL5854449 0.76 KDM4E (0.36) MAOBMAOAALDH1A1SMN1; SMN2KDM4E
SCHEMBL27560358 0.72 PTPN1 (0.32) ROR1MAOBMAOAALDH1A1HPGD
SCHEMBL27538820 0.72 PTPN1 (0.36) ROR1MAOBMAOAALOX15
SCHEMBL226085 0.72 KCNH2 (0.65) CYP19A1ROR1KCNH2TRPV1THRA
SCHEMBL5855134 0.72 KDM4E (0.46) CYP19A1MAOBMAOAALDH1A1KDM4E

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 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
US-6555571-B2 Hormone inhibitor; sexual disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-01-16 US disclosed
EP-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 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 CYP19A1 4/4885ROR1 127/4885KCNH2 3734/4885
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives ESR2, GPER1, NR5A1 CYP19A1 7/4885ROR1 149/4885KCNH2 1998/4885

“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.