SCHEMBL3145457

SCHEMBL3145457

OCc1cccc(CF)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
TSHR P16473 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PRKCI P41743 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
S1PR1 P21453 5/20 0.42
DAO P14920 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CFTR P13569 1/20 0.40
ACMSD Q8TDX5 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
PDK1 Q15118 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
SCHEMBL1337579 0.87 MEN1 (0.40) ENPP2NOS3NOS1NOS2
SCHEMBL123838 0.87 TSHR (0.61) ENPP2NOS3NOS1NOS2TSHR
Hydrochloric Acid SCHEMBL14334287 0.84 ENPP2 (0.58) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL9999688 0.79 ENPP2 (0.54) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL3267429 0.78 ACHE (0.48) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL1023596 0.75 ENPP2 (0.50) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL5981892 0.75 ENPP2 (0.50) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL2642411 0.75 PRSS1 (0.52) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL6073283 0.75 FOLH1 (0.52) ENPP2NOS3NOS1NOS2TSHR
SCHEMBL7713859 0.75 ENPP2 (0.50) ENPP2NOS3NOS1NOS2TSHR

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-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-7342138-B2 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-03-11 US disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20070004934-A1 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-04 US disclosed
EP-1661877-A1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE Ihara Chemical Industry Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US 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 (2 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 ENPP2 4589/4885NOS3 19/4885NOS1 14/4885
US-20070004934-A1 Process for producing aromatic aldehyde ALKBH3, AOX1, ALDH3A1 ENPP2 4641/4885NOS3 634/4885NOS1 1355/4885

“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.