SCHEMBL1609401

SCHEMBL1609401

[CH]=CCc1cc(C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
POLB P06746 1/20 0.39
AMY1A P0DUB6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
TACR1 P25103 1/20 0.34
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL1611058 0.83 PYCR1 (0.44) TAAR1ALDH1A1TDP1HTTNPC1
SCHEMBL22355712 0.80 TAAR1 (0.52) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL1612599 0.79 TAAR1 (0.57) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL170382 0.78 TAAR1 (0.50) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL1124970 0.78 TAAR1 (0.50) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL30976143 0.78 TAAR1 (0.50) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL459336 0.77 TAAR1 (0.59) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL10521945 0.77 TAAR1 (0.59) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL2090774 0.77 TAAR1 (0.58) TAAR1POLBAMY1AALDH1A1TDP1
SCHEMBL1610491 0.76 TAAR1 (0.53) TAAR1POLBAMY1AALDH1A1TDP1

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 TAAR1 772/4885POLB 2185/4885AMY1A 3328/4885

“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.