SCHEMBL4355309

SCHEMBL4355309

CCOc1ccc(C2(C#N)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NQO1 P15559 1/20 0.50
OPRM1 P35372 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MGAT2 Q10469 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL15800600 0.95 POLB (0.50) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL11706062 0.88 POLB (0.47) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL25801655 0.86 CYP3A4 (0.51) POLBCYP3A4CYP2D6NPSR1TSHR
SCHEMBL9649565 0.84 POLB (0.44) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL9649575 0.84 POLB (0.44) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL10687870 0.82 NQO1 (0.50) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL9648262 0.82 POLB (0.43) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL9648269 0.82 POLB (0.43) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL9650096 0.81 POLB (0.42) POLBCYP3A4CYP2D6NPSR1NQO1
SCHEMBL9650101 0.81 POLB (0.42) POLBCYP3A4CYP2D6NPSR1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 US disclosed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 WO disclosed
US-5248834-A Pesticides BRITISH TECHNOLOGY GROUP LIMITED (GB) 1993-09-28 US disclosed
EP-0179788-B1 PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-12 EP disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US disclosed
US-4777185-A Phenyl phenoxyphenyl propenyl cyclopropane pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-11 US disclosed
US-4713392-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-12-15 US disclosed
EP-0179788-A1 PESTICIDES. NAT RES DEV (GB) 1986-05-07 EP disclosed
EP-0161921-A2 Improvements relating to pesticides BTG INTERNATIONAL LIMITED (GB) 1985-11-21 EP disclosed
WO-1985004651-A1 IMPROVEMENTS RELATING TO PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-10-24 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-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM NOTUM, SULT2A1, SULT1A1 POLB 2803/4885CYP3A4 98/4885CYP2D6 170/4885

“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.