SCHEMBL31196259

SCHEMBL31196259

CCOC(=O)C1(c2ccc(-c3ccc(-n4nnc(C)c4NC(=O)OCc4ccc(F)cc4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.57
HRH1 P35367 1/20 0.52
LPAR3 Q9UBY5 1/20 0.48
OPRM1 P35372 2/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 1/20 0.40
ENPP2 Q13822 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL31196228 0.91 LPAR1 (0.67) LPAR1HRH1LPAR3CYP1A2CYP2C19
SCHEMBL14710295 0.85 LPAR1 (0.61) LPAR1HRH1LPAR3
SCHEMBL14710286 0.83 LPAR1 (0.70) LPAR1HRH1LPAR3
SCHEMBL31196388 0.82 LPAR1 (0.46) LPAR1HRH1LPAR3CYP1A2CYP2C19
SCHEMBL31196308 0.82 LPAR1 (0.63) LPAR1HRH1LPAR3
SCHEMBL31196247 0.79 LPAR1 (0.65) LPAR1HRH1LPAR3
SCHEMBL14790511 0.79 LPAR1 (0.56) LPAR1HRH1LPAR3
SCHEMBL31196134 0.78 LPAR1 (0.70) LPAR1HRH1LPAR3
SCHEMBL31196290 0.77 LPAR1 (0.61) LPAR1HRH1LPAR3ENPP2
SCHEMBL16697495 0.76 LPAR1 (0.77) LPAR1HRH1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment UNIV LAKEHEAD (CA) 2024-09-26 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-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment LPAR3, LPAR1, LPAR4 LPAR1 2/4885HRH1 1387/4885LPAR3 1/4885

“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.