SCHEMBL3155138

SCHEMBL3155138

COCc1cncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2B6 P20813 1/20 0.42
PDE10A Q9Y233 6/20 0.41
CDK1 P06493 2/20 0.40
ERBB2 P04626 1/20 0.40
KDR P35968 1/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
PRKCZ Q05513 1/20 0.39
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 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
SCHEMBL28148130 0.82 CYP11B1 (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL12853967 0.82 CYP11B1 (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL10549321 0.79 CYP11B1 (0.49) CYP11B1CYP11B2NPC1RAB9ANPSR1
SCHEMBL3146212 0.79 LMNA (0.49) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL873335 0.79 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL792004 0.76 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL2258454 0.76 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL6114529 0.76 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
Anisole SCHEMBL27710875 0.75 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL25076210 0.75 CYP11B2 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 EP disclosed
CN-100339360-C Process for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2007-09-26 CN disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 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-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT CYP11B1 644/4885CYP11B2 334/4885CYP1A2 219/4885

“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.