SCHEMBL12814879

SCHEMBL12814879

Cc1ccc(C)c(CC2=CC=CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 3/20 0.33
AMY1A P0DUB6 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
COMT P21964 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL12814675 0.86 PYCR1 (0.36) TAAR1GAAALDH1A1HTTKDM4E
SCHEMBL12815302 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12814778 0.79
SCHEMBL12814948 0.78 TAAR1 (0.39) TAAR1ALDH1A1HPGDKMT2AMEN1
SCHEMBL12815842 0.76 HTR1D (0.30)
SCHEMBL5252725 0.76 TAAR1 (0.60) TAAR1GAAPOLBALDH1A1HTT
SCHEMBL12815569 0.73 IDO1 (0.38) TAAR1POLBALDH1A1HTTTDP1
SCHEMBL12814980 0.73 ESR1 (0.38) ALDH1A1HTT
SCHEMBL12814547 0.72 HTR1D (0.40)
SCHEMBL1115967 0.72 IDO1 (0.37) TAAR1POLBALDH1A1HTTKMT2A

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
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 TAAR1 794/4885GAA 335/4885POLB 1051/4885

“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.