SCHEMBL17898557

SCHEMBL17898557

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
LPAR3 Q9UBY5 7/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 4/20 0.37
BTN3A1 O00481 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
CDC25A P30304 2/20 0.33
CDC25B P30305 2/20 0.33
PGD P52209 1/20 0.32

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
SCHEMBL17898564 0.89 LPAR3 (0.43) CA1LPAR3LPAR2LPAR1CDC25A
SCHEMBL17898570 0.86 LPAR3 (0.33) LPAR3LPAR2LPAR1BTN3A1PGK1
SCHEMBL30666128 0.84 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL30666129 0.84 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL1270333 0.78 LPAR3 (0.46) CA1LPAR3LPAR2LPAR1PGK1
SCHEMBL17898563 0.77 LPAR3 (0.39) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL14350722 0.77 CA1 (0.57) CA1
Methane SCHEMBL7755990 0.76 LPAR3 (0.45) CA1LPAR3LPAR2LPAR1PGK1
SCHEMBL28933243 0.76 LPAR3 (0.45) CA1LPAR3LPAR2LPAR1PGK1
Phosphoric Acid SCHEMBL27874485 0.76 LPAR3 (0.45) CA1LPAR3LPAR2LPAR1PGK1

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 CA1 2996/4885LPAR3 1218/4885LPAR2 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.