SCHEMBL5854428

SCHEMBL5854428

COc1ccc2c(c1)OCC(C)(c1ccncc1)C2CCCCCCCCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
KDM4C Q9H3R0 3/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.33
HTR7 P34969 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL5856744 0.92 HTR2B (0.41) HTR2BSIGMAR1HTR1AUSP2CYP3A4
SCHEMBL5857506 0.89 BACE1 (0.38) CYP19A1HTR2BSIGMAR1HTR1ABACE1
SCHEMBL5855250 0.85 CYP19A1 (0.35) CYP19A1HTR2BSIGMAR1HTR1AKDM4C
SCHEMBL5854607 0.83 PTPN1 (0.36) HTR2BSIGMAR1HTR1ATMEM97
SCHEMBL5854285 0.83 PTPN1 (0.36) HTR2BSIGMAR1HTR1ATMEM97
SCHEMBL5855951 0.82 CYP19A1 (0.33) CYP19A1HTR2BSIGMAR1HTR1A
SCHEMBL5854043 0.82 PTPN1 (0.37) HTR2BSIGMAR1HTR1ATMEM97
SCHEMBL5854163 0.78 PTPN1 (0.37) HTR2BSIGMAR1HTR1ATMEM97
SCHEMBL5855346 0.77 CYP4A11 (0.35) CYP3A4
SCHEMBL5854353 0.77 HTR2B (0.36) HTR2BSIGMAR1HTR1AUSP2CYP3A4

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 CYP19A1 4/4885HTR2B 2643/4885SIGMAR1 223/4885

“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.