SCHEMBL10452001

SCHEMBL10452001

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 1/20 0.44
ALPG P10696 2/20 0.44
FFAR1 O14842 2/20 0.43
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CNR2 P34972 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL10452077 0.95 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL10694689 0.95 CNR2 (0.43) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL15862682 0.91 CYP2C9 (0.46) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL11157668 0.89 CNR2 (0.43) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL11159272 0.89 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL11160153 0.89 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL14635509 0.89 PGR (0.41) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL10450998 0.88 ALDH1A1 (0.50) LMNAALDH1A1HPGDHTTNPSR1
SCHEMBL10452078 0.87 KMT2A (0.43) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL10451133 0.85 KMT2A (0.49) LMNASMN1; SMN2ALDH1A1HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266725-A1 4-cyano-4-(fluorophenyl)-3-(substituted phenyl) butyric acids, esters and derivatives thereof, and a method of selectively controlling undesirable vegetation in rice therewith AMERICAN CYANAMID COMPANY (US) 1988-05-11 EP claimed
EP-2731933-B1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-9084425-B2 2,3-diphenyl-valeronitrile derivatives, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
EP-2731933-A2 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer Intellectual Property GmbH (DE) 2014-05-21 EP disclosed
WO-2013010882-A2 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
US-4898609-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1990-02-06 US disclosed
EP-0266725-A1 4-cyano-4-(fluorophenyl)-3-(substituted phenyl) butyric acids, esters and derivatives thereof, and a method of selectively controlling undesirable vegetation in rice therewith AMERICAN CYANAMID COMPANY (US) 1988-05-11 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-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, CYP1A1, CYP4Z1 LMNA 3069/4885SMN1; SMN2 4428/4885ALDH1A1 114/4885

“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.