SCHEMBL5595580

SCHEMBL5595580

CCCCCCCC/C=C\CCCCCCCC(=O)[C@@H](CP(=O)(O)O)C(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.53
FABP3 P05413 5/20 0.50
LPAR1 Q92633 1/20 0.48
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
FAAH O00519 2/20 0.47
KMT2A Q03164 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5595795 0.85 LPAR2 (0.44) LPAR2FABP3TERTPTPN1PPARG
SCHEMBL5595582 0.79 FAAH (0.49) FABP3TERTPTPN1PPARGPPARD
SCHEMBL5595680 0.75 CES2 (0.50) FAAHKMT2AMEN1
Phosphoric Acid SCHEMBL30802789 0.72 FABP3 (0.54) FABP3TERTPTPN1PPARGPPARD
Phosphoric Acid SCHEMBL2936593 0.72 FABP3 (0.54) FABP3LPAR1TERTPTPN1PPARG
SCHEMBL4655451 0.72 TERT (0.59) FABP3TERTPTPN1PPARGPPARD
SCHEMBL27325388 0.72 PPARG (0.65) FABP3TERTPTPN1PPARGPPARD
SCHEMBL4735178 0.72 TERT (0.59) FABP3TERTPTPN1PPARGPPARD
SCHEMBL4735181 0.72 TERT (0.59) FABP3TERTPTPN1PPARGPPARD
SCHEMBL4655453 0.72 TERT (0.59) FABP3TERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 US disclosed
EP-1615937-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2006-01-18 EP disclosed
WO-2004092188-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-10-28 WO 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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 LPAR2 2/4885FABP3 783/4885LPAR1 6/4885

“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.