SCHEMBL624734

SCHEMBL624734

CC(=CC#N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
SRD5A2 P31213 1/20 0.43
GAA P10253 2/20 0.43
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.42
P2RX1 P51575 1/20 0.41
LMNA P02545 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL624732 1.00 CES2 (0.50) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL624733 1.00 CES2 (0.50) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL13930327 0.83 CES2 (0.53) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL19592309 0.81 CES2 (0.58) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10958300 0.81 CES2 (0.50) CES2ALDH1A1NPSR1SRD5A2MAOB
SCHEMBL10958305 0.81 CES2 (0.50) CES2ALDH1A1NPSR1SRD5A2MAOB
SCHEMBL26962847 0.81 CES2 (0.50) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL20806278 0.80 CES2 (0.56) CES2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL625016 0.80 NR4A1 (0.54) CES2SRD5A2MAOBNQO2
SCHEMBL625015 0.80 NR4A1 (0.54) CES2SRD5A2MAOBNQO2

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 4 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
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 CES2 4412/4885ALDH1A1 2560/4885MEN1 4188/4885

“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.