SCHEMBL3033073

SCHEMBL3033073

CCCc1cc(C(=O)CO)ccc1OCCCCCCc1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.41
THRA P10827 10/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
THRB P10828 9/20 0.37
NR1H4 Q96RI1 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R2 Q9NPC1 1/20 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
SCHEMBL9417834 0.99 LTB4R (0.39) LTB4RTHRAPLA2G2DTHRBNR1H4
SCHEMBL9417814 0.93 THRA (0.37) LTB4RTHRAPLA2G2DTHRBNR1H4
SCHEMBL9417891 0.86 MAPK1 (0.40) THRB
SCHEMBL10522356 0.82 LTB4R (0.56) LTB4RTHRAPLA2G2DTHRB
SCHEMBL9387348 0.80 LTB4R (0.48) LTB4RTHRAPLA2G2DTHRB
SCHEMBL6935194 0.79 LTB4R (0.46) LTB4RTHRAPLA2G2DTHRBPPARG
SCHEMBL2422646 0.78 LTB4R (0.45) LTB4RTHRAPLA2G2DTHRBPPARG
SCHEMBL5711634 0.78 LTB4R (0.53) LTB4RTHRAPLA2G2DTHRB
Hydrochloric Acid SCHEMBL9417918 0.77 LTB4R (0.45) LTB4RTHRAPLA2G2DTHRBPPARG
SCHEMBL9696996 0.77 LTB4R (0.67) LTB4RTHRAPLA2G2DPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210695-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS DARA BIOSCIENCES, INC. (US) 2010-08-19 US disclosed
EP-1180686-B1 REMEDIES FOR KIDNEY DISEASES AND METHOD FOR SCREENING THE SAME CMIC CO LTD (JP) 2009-10-14 EP disclosed
WO-2009002433-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS DARA BIOSCIENCES, INC. (US) 2008-12-31 WO disclosed
US-20060120971-A1 Agents and methods for administration to the central nervous system SIGNUM PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006041922-A2 AGENTS AND METHODS FOR ADMINISTRATION TO THE CENTRAL NERVOUS SYSTEM DARA BIOSCIENCES, INC. (US) 2006-04-20 WO disclosed
WO-2005095649-A1 DNA CHIP FOR SCREENING OF PEROXISOME PROLIFERATOR GENOCHECK CO. LTD. (KR) 2005-10-13 WO disclosed
US-20040185503-A1 Administering peroxisome proliferator-activated receptor agonist; assaying substance for up-regulating the expression of fatty acid-binding protein; glomerulonephritis, nephrotic syndrome, focal glomerulosclerosis TANABE SEIYAKU CO., LTD. 2004-09-23 US disclosed
US-6794154-B1 COMPRISES ASSAYING A TEST SUBSTANCE FOR THE ACTIVITY OF UP-REGULATING THE EXPRESSION OF LIVER-TYPE FATTY ACID-BINDING PROTEIN (L-FABP) IN ANIMAL CELLS; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR AGONISTS; TANABE SEIYAKU CO., LTD. (JP) 2004-09-21 US disclosed
EP-1180686-A1 REMEDIES FOR KIDNEY DISEASES AND METHOD FOR SCREENING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2002-02-20 EP 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-20100210695-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS CPT1B, CPT1A, CPT2 LTB4R 1678/4885THRA 4193/4885PLA2G2D 1604/4885

“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.