SCHEMBL1610341

SCHEMBL1610341

[C]#CC(CCC)c1cccc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.34
ADRA2B P18089 4/20 0.34
ADRA2C P18825 4/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
ADRA1D P25100 2/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR7 P34969 1/20 0.33
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
MAPK1 P28482 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
SCHEMBL1611050 0.90 PTGES (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1612588 0.89 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1611676 0.86 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1612475 0.86 ESR1 (0.39) ADRA2AADRA2BADRA2CADRA1AKCNH2
SCHEMBL1611307 0.84
SCHEMBL1611054 0.80 CA1 (0.33) CYP1A2
SCHEMBL1611994 0.76
SCHEMBL1611234 0.76 ESR1 (0.37) CYP3A4TSHR
SCHEMBL10822146 0.76 FFAR1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1612088 0.75 TAS1R3 (0.30)

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 ADRA2A 2494/4885ADRA2B 1960/4885ADRA2C 2697/4885

“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.