SCHEMBL3033071

SCHEMBL3033071

CCCc1c(OCCCCCCc2nnn[nH]2)ccc(C(C)=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.67
CYSLTR1 Q9Y271 9/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 1/20 0.67
GLA P06280 1/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX5 P09917 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
GRM2 Q14416 6/20 0.60
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10694438 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10691896 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10691842 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10687830 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10693120 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10687786 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA
Tomelukast SCHEMBL3944 0.99 CYSLTR2 (0.68) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10693436 0.96 CYSLTR2 (0.63) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL9777248 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL9643112 0.89 CYSLTR2 (0.54) CYSLTR2CYSLTR1LMNAMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP claimed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US claimed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 EP claimed
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
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
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP disclosed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 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 CYSLTR2 1860/4885CYSLTR1 1074/4885LMNA 3902/4885

“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.