SCHEMBL4586322

SCHEMBL4586322

CCCCCc1ccc(/C=C/c2ccc3cc4cc(/C=C/c5ccc(CCCCC)cc5)ccc4cc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44
HSPE1 P61604 1/20 0.44

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
SCHEMBL1594366 1.00 THRB (0.45) THRBSPHK2SPHK1ESR1ADRA2A
SCHEMBL5548831 0.95 RELA (0.50) THRBSPHK2SPHK1ESR1ADRA2A
SCHEMBL5551483 0.94 RELA (0.49) THRBSPHK2SPHK1ESR1ADRA2A
SCHEMBL15465910 0.94 RELA (0.49) THRBSPHK2SPHK1ESR1ADRA2A
SCHEMBL29266162 0.92 ESR1 (0.43) THRBESR1ADRA2AADORA3TACR2
SCHEMBL29266159 0.92 ESR1 (0.43) THRBESR1ADRA2AADORA3TACR2
SCHEMBL30969697 0.88 SIGMAR1 (0.45) ALDH1A1RELA
SCHEMBL29266161 0.88 SIGMAR1 (0.45) ALDH1A1RELA
SCHEMBL17879401 0.88 CYP3A4 (0.44) THRBSPHK2SPHK1ESR1ADRA2A
SCHEMBL30969698 0.88 SIGMAR1 (0.45) ALDH1A1RELA

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
EP-2435418-B1 FUSED THIOPHENES, ARTICLES AND METHODS THEREOF CORNING INC (US) 2019-06-26 EP disclosed
US-8658059-B2 Liquid crystal composite material and liquid crystal electro-optical display device CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2014-02-25 US disclosed
US-20120162593-A1 LIQUID CRYSTAL COMPOSITE MATERIAL AND LIQUID CRYSTAL ELECTRO-OPTICAL DISPLAY DEVICE CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2012-06-28 US disclosed
US-20080142793-A1 Organic Semiconductors UNITED STATES AIR FORCE 2008-06-19 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-20080142793-A1 Organic Semiconductors ACE, ACE2, TTN THRB 2973/4885SPHK2 2496/4885SPHK1 1873/4885

“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.