SCHEMBL6794452

SCHEMBL6794452

COCOc1ccc2c(c1)OCC(C)(c1ccc(OC)cc1OC)C2CCCCCCCCOS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ABCB1 P08183 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5854650 0.87 ESR1 (0.33) HTR2BSIGMAR1
SCHEMBL5856161 0.87 ESR1 (0.33) HTR2BSIGMAR1
SCHEMBL5854267 0.86 ESR1 (0.34) HTR1AHTR2BSIGMAR1
SCHEMBL5858141 0.85 HTR1A (0.34) ROR1HTR1AHTR2BSIGMAR1CYP3A4
SCHEMBL6791071 0.85 HTR1A (0.32) ROR1HTR1AHTR2BSIGMAR1
SCHEMBL5857359 0.84 PPARD (0.33) HTR1AHTR2BSIGMAR1
SCHEMBL6794448 0.83 CYP3A4 (0.34) ROR1HTR1AHTR2BSIGMAR1CYP3A4
SCHEMBL5854239 0.82 ALDH1A1 (0.34) CYP3A4TSHRALDH1A1MAPT
SCHEMBL5855250 0.81 CYP19A1 (0.35) HTR1AHTR2BSIGMAR1ABCB1
SCHEMBL5857317 0.79 MAOB (0.35) HTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROR1 127/4885HTR1A 1060/4885HTR2B 2643/4885

“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.