SCHEMBL626140

SCHEMBL626140

Cc1ccc(C(C)CC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GRIA4 P48058 1/20 0.39
CHRNA7 P36544 1/20 0.37
ALOX5 P09917 1/20 0.36
HCRTR2 O43614 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
PBRM1 Q86U86 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL8764025 0.82 ESR1 (0.50) ACHEALDH1A1CYP2A6ESR1ESR2
SCHEMBL18376570 0.81 ADRB2 (0.45) ALDH1A1CYP2A6ESR1ESR2GAA
SCHEMBL9451732 0.81 PYCR1 (0.41) ALDH1A1ESR1ESR2ALOX5PBRM1
SCHEMBL16992757 0.81 ALDH1A1 (0.38) ALDH1A1ESR1ESR2PBRM1TDP1
SCHEMBL16992752 0.81 ALDH1A1 (0.38) ALDH1A1ESR1ESR2PBRM1TDP1
SCHEMBL25343596 0.81 ADRB2 (0.45) ALDH1A1CYP2A6ESR1ESR2GAA
SCHEMBL16992759 0.81 ALDH1A1 (0.38) ALDH1A1ESR1ESR2PBRM1TDP1
SCHEMBL1553978 0.80 TAAR1 (0.52) ALDH1A1PBRM1GRM5
SCHEMBL13930328 0.80 ALDH1A1 (0.41) ACHEALDH1A1CYP2A6ESR1ESR2
SCHEMBL2760210 0.80 TAAR1 (0.52) ALDH1A1PBRM1GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 ACHE 2398/4885STAT3 1387/4885ALDH1A1 2560/4885

“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.