SCHEMBL5856692

SCHEMBL5856692

COCOc1ccc2c(c1)OCC(C)(c1ccc(OCc3ccccc3)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.52
MAOA P21397 7/20 0.52
GRM5 P41594 3/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR2B P41595 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
RIPK1 Q13546 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
GSTP1 P09211 1/20 0.42
TOP1 P11387 1/20 0.40

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
SCHEMBL5854508 0.91 CYP19A1 (0.37) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL5854730 0.86 CYP19A1 (0.38) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL23882929 0.81 MAOB (0.63) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30251066 0.81 MAOB (0.63) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL27560370 0.77 HTR2B (0.49) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL5855991 0.75 CYP19A1 (0.47) MAOBALDH1A1HPGDSMN1; SMN2HTR2B
SCHEMBL5854453 0.75 CYP19A1 (0.36) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL281654 0.72 MAOB (0.67) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL12469988 0.71 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL23906296 0.70 BRD4 (0.53) MAOBMAOAGRM5NPC1ALDH1A1

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 5 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
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 (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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 MAOB 3818/4885MAOA 4221/4885GRM5 1484/4885

“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.