SCHEMBL1611529

SCHEMBL1611529

CC/C=[C]\c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ACHE P22303 2/20 0.38
GRM5 P41594 1/20 0.33
FFAR1 O14842 5/20 0.33
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL1610611 0.83 FFAR1 (0.36) TSHRFFAR1ALDH1A1CA1CA2
SCHEMBL1612130 0.83 TSHR (0.43) TSHRACHEGRM5FFAR1CHRM2
SCHEMBL1609667 0.80 TSHR (0.41) TSHRACHEGRM5CYP3A4
SCHEMBL1610285 0.79 TSHR (0.39) TSHRACHEFFAR1ALDH1A1MAPT
SCHEMBL1611147 0.77 TSHR (0.38) TSHRALDH1A1MAPTHTTCYP3A4
SCHEMBL6157727 0.77 KCNH2 (0.39) TSHRGRM5FFAR1ALDH1A1TAAR1
SCHEMBL1611735 0.76 CYP1A2 (0.35) TSHRACHEFFAR1ALDH1A1CA1
SCHEMBL1610179 0.75 TDP1 (0.35) ALDH1A1TAAR1CYP3A4TDP1
SCHEMBL1612595 0.75 GRM5 (0.36) GRM5FFAR1ALDH1A1TAAR1TDP1
SCHEMBL1610051 0.75 TSHR (0.52) TSHRACHEGRM5FFAR1CHRM2

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 TSHR 2994/4885ACHE 3944/4885GRM5 3485/4885

“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.