SCHEMBL1612595

SCHEMBL1612595

CC/C=[C]\c1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL1610489 0.85 GRM5 (0.34) GRM5FFAR1TDP1ALDH1A1TAAR1
SCHEMBL1610179 0.84 TDP1 (0.35) TDP1ALDH1A1TAAR1TP53MEN1
SCHEMBL1611559 0.82 PDE5A (0.35) GRM5FFAR1TDP1ALDH1A1TAAR1
SCHEMBL1612160 0.80 CNR1 (0.33) GRM5FFAR1TDP1ALDH1A1TAAR1
SCHEMBL1611405 0.79 CNR1 (0.35) GRM5FFAR1TDP1ALDH1A1TP53
SCHEMBL1609399 0.77 TDP1 (0.39) GRM5FFAR1TDP1ALDH1A1TAAR1
SCHEMBL1610358 0.76
SCHEMBL1611529 0.75 TSHR (0.46) GRM5FFAR1TDP1ALDH1A1TAAR1
SCHEMBL1612117 0.73
SCHEMBL1611959 0.70 ALDH1A1 (0.42) GRM5FFAR1TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 GRM5 3485/4885FFAR1 4079/4885TDP1 2129/4885

“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.