SCHEMBL17898570

SCHEMBL17898570

CC(C)CCC(O)CCC(=O)CCOP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR5 Q9H1C0 2/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
ENPP2 Q13822 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PGD P52209 2/20 0.32
CDC25A P30304 2/20 0.30
CDC25B P30305 2/20 0.30
BTN3A1 O00481 1/20 0.30
PLA2G4A P47712 1/20 0.30

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
SCHEMBL17898563 0.91 LPAR3 (0.39) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL17898557 0.86 CA1 (0.38) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL30666129 0.79 LPAR3 (0.42) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL30666128 0.79 LPAR3 (0.42) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL17898564 0.77 LPAR3 (0.43) LPAR3LPAR1LPAR2CDC25ACDC25B
SCHEMBL17898553 0.74 CA1 (0.31)
SCHEMBL1270333 0.72 LPAR3 (0.46) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL28933243 0.70 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
Methane SCHEMBL7755990 0.70 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
Phosphoric Acid SCHEMBL27874485 0.70 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2

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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A LPAR3 1218/4885LPAR1 1840/4885LPAR2 1751/4885

“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.