SCHEMBL8975306

SCHEMBL8975306

CCCCc1cccc(C)c1-c1c(C)cccc1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
SKP2 Q13309 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TLR8 Q9NR97 2/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL6546954 0.87 HSD11B1 (0.41) TAAR1CYSLTR2CYSLTR1LIPGTLR8
SCHEMBL14877332 0.86 TAAR1 (0.46) TAAR1CYSLTR2CYSLTR1
SCHEMBL3959890 0.83 CD44 (0.45) TAAR1CYSLTR2CYSLTR1LIPGSKP2
SCHEMBL9734513 0.83 CYSLTR2 (0.42) TAAR1CYSLTR2CYSLTR1LIPGSKP2
SCHEMBL630180 0.83 LIPG (0.41) TAAR1CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL28185003 0.82 PTPN1 (0.46) CYSLTR2CYSLTR1ALOX5PTGS2BID
SCHEMBL475603 0.82 TAAR1 (0.58) TAAR1LIPGTLR8CYP3A4CYP2D6
SCHEMBL29981544 0.82 TAAR1 (0.58) TAAR1LIPGTLR8CYP3A4CYP2D6
SCHEMBL5499255 0.82 TAAR1 (0.58) TAAR1LIPGTLR8CYP3A4CYP2D6
SCHEMBL6547350 0.81 DHFR (0.47) TAAR1CYSLTR2CYSLTR1LIPGALOX5

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
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
EP-0705856-A2 Epoxy resin composition for semiconductor encapsulation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-04-10 EP 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-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 TAAR1 146/4885CYSLTR2 1067/4885CYSLTR1 788/4885

“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.