SCHEMBL6990350

SCHEMBL6990350

[CH2]CCCC(=C)CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
TSHR P16473 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8220181 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8209360 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8218868 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8216992 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8220850 0.97 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL8215682 0.95 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8216045 0.95 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8208486 0.95 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8217336 0.95 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8218470 0.95 CES2 (0.44) CES2CES1GPR84PPARGPPARD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627656-B2 Antagonists of the pain and inflammatory effects of E-type prostaglandins administered alone or in combination with analgesics, antipyretics, NSAIDs, antitussives, decongestants etc MERCK FROSST CANADA LTD. (CA) 2003-09-30 US disclosed
EP-1278734-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE Merck Frosst Canada & Co. (CA) 2003-01-29 EP disclosed
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore MERCK FROSST CANADA LTD. (CA) 2002-06-27 US disclosed
WO-2001081312-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE MERCK FROSST CANADA & CO. (CA) 2001-11-01 WO disclosed
US-20010031766-A1 Prostaglandin receptor ligands MERCK FROSST CANADA & CO. 2001-10-18 US disclosed
US-6277839-B1 ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-08-21 US disclosed
EP-1119542-A1 PROSTAGLANDIN RECEPTOR LIGANDS Merck Frosst Canada & Co. (CA) 2001-08-01 EP disclosed
EP-1119555-A1 BIPHENYLENE LACTAMS AS PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA INC. (CA) 2001-08-01 EP disclosed
US-6211197-B1 CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-03 US disclosed
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0639181-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-02-22 EP disclosed
WO-1994027968-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-12-08 WO disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed
US-5350760-A Aza-5,5-fused hetrocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1994-09-27 US disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 EP disclosed
WO-1993021169-A1 BENZOTHIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021168-A1 THIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
US-5036067-A Enzyme inhibotors MERCK & CO., INC. (US) 1991-07-30 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 (2 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-20010031766-A1 Prostaglandin receptor ligands PTGER1, PTGER2, PTGFR CES2 2822/4885CES1 2081/4885GPR84 83/4885
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore PTGER1, PTGS1, PTGES CES2 983/4885CES1 74/4885GPR84 1950/4885

“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.