SCHEMBL4816988

SCHEMBL4816988

CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(CCCC)c(O)c(CCCC)c1)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 7/20 0.42
▸ LPAR2 Q9HBW0 6/20 0.42
▸ LPAR1 Q92633 3/20 0.42
▸ ALOX5 P09917 4/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ ESR1 P03372 3/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GSTA1 P08263 2/20 0.36
▸ GSTP1 P09211 2/20 0.36

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
SCHEMBL11690877 0.92 ESR1 (0.42) LPAR3LPAR2LPAR1ALOX5PTGS2
SCHEMBL191427 0.87 EGFR (0.38) ALOX5PTGS2
SCHEMBL10985358 0.85 CYP3A4 (0.40) LPAR3LPAR2LPAR1ESR1
SCHEMBL10990560 0.82 DHFR (0.37) —
SCHEMBL10982120 0.82 ALOX5 (0.42) ALOX5PTGS2ENPP2
SCHEMBL7157597 0.82 CYP3A4 (0.37) LPAR3LPAR2LPAR1ALOX5PTGS2
SCHEMBL5415808 0.80 HMGCR (0.48) LPAR3LPAR2LPAR1ESR1AKR1C4
SCHEMBL11154052 0.80 HMGCR (0.48) LPAR3LPAR2LPAR1ESR1AKR1C4
SCHEMBL21359725 0.80 HMGCR (0.48) LPAR3LPAR2LPAR1ESR1AKR1C4
SCHEMBL5410693 0.80 HMGCR (0.48) LPAR3LPAR2LPAR1ESR1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442735-B2 Nucleating agent composition and crystalline polymer compositions containing the same ASAHI DENKA CO., LTD. (JP) 2008-10-28 — — US disclosed
US-20070054996-A1 Nucleating agent composition and crystalline polymer compositions containing the same ASAHI DENKA CO., LTD. (JP) 2007-03-08 — — 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 (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-20070054996-A1 Nucleating agent composition and crystalline polymer compositions containing the same NAF1, RCC1, RAN LPAR3 305/4885LPAR2 328/4885LPAR1 296/4885

“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.

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