SCHEMBL5855688

SCHEMBL5855688

COc1ccc(C2(SC)COc3cc(OC)ccc3C2CCCCCCCCCSCCCN(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR1A P08908 1/20 0.33
POLB P06746 1/20 0.32
EDNRA P25101 2/20 0.32
HTR7 P34969 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5857176 0.87 HTR1A (0.32) HTR2BSIGMAR1HTR1A
SCHEMBL7129811 0.84 HTR2B (0.36) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5854353 0.84 HTR2B (0.36) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5858007 0.84 HTR2B (0.36) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5856294 0.81 HTR1A (0.35) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5854540 0.80 EDNRB (0.35) HTR2BSIGMAR1HTR1AEDNRAALDH1A1
SCHEMBL7123998 0.79 HTR2B (0.37) HTR2BSIGMAR1HTR1AEDNRAHTR7
SCHEMBL5854838 0.79 HTR1A (0.33) HTR2BSIGMAR1HTR1AALDH1A1
SCHEMBL5854314 0.79 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5853938 0.79 HTR1A (0.33) HTR2BSIGMAR1HTR1A

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 3 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

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 HTR2B 2643/4885SIGMAR1 223/4885HTR1A 1060/4885

“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.