SCHEMBL5854540

SCHEMBL5854540

COC(=O)CCCCCCCC1c2ccc(OC)cc2OCC1(SC)c1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
MTNR1A P48039 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TBXA2R P21731 1/20 0.32
PTGER4 P35408 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5854353 0.88 HTR2B (0.36) HTR1AHTR2BSIGMAR1ALDH1A1MAPK1
SCHEMBL5858007 0.88 HTR2B (0.36) HTR1AHTR2BSIGMAR1ALDH1A1MAPK1
SCHEMBL7123998 0.86 HTR2B (0.37) EDNRBEDNRAMTNR1AHTR1AHTR2B
SCHEMBL7129811 0.85 HTR2B (0.36) HTR1AHTR2BSIGMAR1ALDH1A1MAPK1
SCHEMBL5854875 0.85 CNR1 (0.35) MTNR1AHTR1AHTR2BSIGMAR1ALDH1A1
SCHEMBL5856294 0.85 HTR1A (0.35) HTR1AHTR2BSIGMAR1ALDH1A1MAPK1
SCHEMBL5854838 0.83 HTR1A (0.33) HTR1AHTR2BSIGMAR1ALDH1A1
SCHEMBL5854314 0.82 L3MBTL1 (0.34) HTR1AHTR2BSIGMAR1
SCHEMBL5854901 0.82
SCHEMBL7128090 0.82

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 EDNRB 621/4885EDNRA 574/4885MTNR1A 585/4885

“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.