SCHEMBL9423928

SCHEMBL9423928

CCCCCN(C)C(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.51
ALDH1A1 P00352 1/20 0.44
DNM1 Q05193 5/20 0.44
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM5A P29375 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GGPS1 O95749 2/20 0.37

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
SCHEMBL31310487 0.98 EPHX2 (0.54) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL23161586 0.98 EPHX2 (0.54) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL9424278 0.93 ALDH1A1 (0.46) EPHX2ALDH1A1DNM1CES2CES1
SCHEMBL10816873 0.90 EPHX2 (0.59) EPHX2ALDH1A1DNM1S1PR2S1PR1
Phosphoric Acid SCHEMBL28272112 0.90 S1PR2 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL11634642 0.88 EPHX2 (0.62) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL11046710 0.88 EPHX2 (0.62) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL20625249 0.88 EPHX2 (0.62) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL29407141 0.88 EPHX2 (0.62) EPHX2ALDH1A1DNM1S1PR2S1PR1
SCHEMBL19570768 0.85 EPHX2 (0.45) EPHX2ALDH1A1DNM1S1PR2S1PR1

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
US-7696177-B2 Anti-hypercholesterolemic compounds MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-20100004184-A1 Anti-hypercholesterolemic compounds MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 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-20100004184-A1 Anti-hypercholesterolemic compounds PCSK9, SLC10A1, NPC1 EPHX2 2046/4885ALDH1A1 1283/4885DNM1 1070/4885

“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.