SCHEMBL10697346

SCHEMBL10697346

COC(=O)CC(c1ccc(Cl)cc1)C(C#N)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
OPRL1 P41146 2/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
KCNA5 P22460 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL10451133 0.92 KMT2A (0.49) KMT2APGRARKCNA5ALDH1A1
SCHEMBL9681946 0.91 OPRM1 (0.41) KMT2ACNR1CNR2OPRL1PGR
SCHEMBL10695685 0.91 KCNA5 (0.45) KMT2ACNR2PGRARKCNA5
SCHEMBL10695128 0.91 KCNA5 (0.41) KMT2ACNR2PGRARKCNA5
SCHEMBL10699742 0.89 PGR (0.43) KMT2ACNR1CNR2PGRAR
SCHEMBL10451992 0.89 ALDH1A1 (0.49) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL10451128 0.87 KMT2A (0.46) KMT2ACNR2PGRARKCNA5
SCHEMBL10698385 0.87 S1PR3 (0.40) KMT2AALDH1A1MAPTHTT
SCHEMBL15862682 0.86 CYP2C9 (0.46) KMT2ACNR1CNR2OPRL1ALDH1A1
SCHEMBL10452397 0.84 KMT2A (0.49) KMT2AKCNA5ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP claimed
US-9049863-B2 Substituted (3R,4R)-4-cyan-3,4-diphenylbutanoates, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20140194291-A1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 US 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-20140194291-A1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS CBR3, TH, DHRS9 KMT2A 2955/4885CNR1 370/4885CNR2 539/4885

“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.