SCHEMBL1611581

SCHEMBL1611581

[C]#CC(C)c1cc(C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 4/20 0.36
TRPA1 O75762 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
HSD11B1 P28845 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL1611190 0.83 TRPA1 (0.41) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL1611712 0.75 RAPGEF4 (0.30) RAPGEF4
SCHEMBL30165955 0.75 LMNA (0.54) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL11882816 0.75 ALDH1A1 (0.44) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL598624 0.75 LMNA (0.54) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL1611091 0.75 ALDH1A1 (0.33) ALDH1A1TDP1LMNAKMT2AMEN1
SCHEMBL1612103 0.74 ESR1 (0.46) ALDH1A1CHRM1SLC6A2ADRA1AHTR2B
SCHEMBL28136997 0.73 LMNA (0.52) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL1610546 0.72 GPR55 (0.30)
SCHEMBL1611550 0.72 TAS1R3 (0.33) ALDH1A1TDP1KMT2APOLBTAAR1

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 ALDH1A1 137/4885TDP1 2129/4885LMNA 4544/4885

“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.