SCHEMBL1611266

SCHEMBL1611266

[C]#CCCCCCc1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.38
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 3/20 0.32
TP53 P04637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
RAB9A P51151 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNF P01375 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
HBB P68871 1/20 0.31
NPC1 O15118 1/20 0.31
TYR P14679 2/20 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
SCHEMBL1611629 1.00 PYCR1 (0.38) PYCR1TAAR1KDM4EALDH1A1KMT2A
SCHEMBL1612001 0.98 PYCR1 (0.39) PYCR1TAAR1KDM4EALDH1A1KMT2A
SCHEMBL1610391 0.93 PYCR1 (0.40) PYCR1TAAR1KDM4EALDH1A1KMT2A
SCHEMBL1612814 0.86 TAAR1 (0.50) TAAR1KDM4EALDH1A1KMT2ATP53
SCHEMBL1611452 0.86 TAAR1 (0.50) TAAR1KDM4EALDH1A1KMT2ATP53
SCHEMBL1611194 0.85 PYCR1 (0.42) PYCR1TAAR1KDM4EALDH1A1KMT2A
SCHEMBL1611552 0.84 TAAR1 (0.52) TAAR1KDM4EALDH1A1KMT2ATP53
SCHEMBL1610910 0.79
SCHEMBL1610761 0.79
SCHEMBL1611094 0.79 TAAR1 (0.53) TAAR1KDM4EALDH1A1KMT2ATP53

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 PYCR1 1495/4885TAAR1 772/4885KDM4E 1272/4885

“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.