SCHEMBL4026352

SCHEMBL4026352

CC(OC(=O)Nc1conc1-c1ccc(OCCCCC(=O)O)cc1)c1ccccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.80
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPARA Q07869 1/20 0.39
PPARD Q03181 2/20 0.38
NR1H4 Q96RI1 2/20 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
SCHEMBL4024395 0.90 LPAR1 (0.66) LPAR1LPAR3LPAR2
SCHEMBL4026928 0.89 LPAR1 (1.00) LPAR1LPAR3LPAR2PPARDNR1H4
SCHEMBL4023746 0.89 LPAR1 (1.00) LPAR1LPAR3LPAR2PPARDNR1H4
SCHEMBL4029044 0.88 LPAR1 (0.98) LPAR1LPAR3LPAR2PPARDNR1H4
SCHEMBL4029042 0.88 LPAR1 (0.98) LPAR1LPAR3LPAR2PPARDNR1H4
SCHEMBL4025130 0.84 LPAR1 (1.00) LPAR1LPAR3LPAR2
SCHEMBL4021325 0.83 LPAR1 (0.68) LPAR1LPAR3LPAR2
SCHEMBL3436106 0.83 LPAR1 (0.72) LPAR1LPAR3LPAR2
SCHEMBL4024757 0.82 LPAR1 (0.72) LPAR1LPAR3LPAR2
SCHEMBL4024751 0.82 LPAR1 (0.72) LPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885

“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.