SCHEMBL1781773

SCHEMBL1781773

CCCCCCCCCCC(O)CC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.53
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 2/20 0.52
TRPA1 O75762 1/20 0.47
DDAH1 O94760 1/20 0.47
GAPDH P04406 1/20 0.47
MAPT P10636 1/20 0.47
PSMD14 O00487 2/20 0.46
PLA2G1B P04054 2/20 0.46
MMP2 P08253 2/20 0.46
ATG4B Q9Y4P1 2/20 0.46
HSP90AA1 P07900 1/20 0.46
RAD52 P43351 1/20 0.46
NFKB1 P19838 1/20 0.46
TSHR P16473 1/20 0.44
FAAH O00519 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44

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
SCHEMBL1786386 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL1784282 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL1783522 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL1784400 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL5181607 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL17027541 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL9324211 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL21051773 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL21051774 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1
SCHEMBL1784145 1.00 GPR84 (0.53) GPR84FFAR1FFAR4TRPA1DDAH1

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
US-11060079-B2 Methods and microorganisms for producing flavors and fragrance chemicals ARDRA INC. (CA) 2021-07-13 US disclosed
US-20190177713-A1 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS ARDRA INC. (CA) 2019-06-13 US disclosed
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-14 US disclosed
US-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-03-22 US disclosed
US-9200043-B2 Biocatalytic oxidation process with AlkL gene product EVONIK DEGUSSA GMBH (DE) 2015-12-01 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130052700-A1 BIOCATALYTIC OXIDATION PROCESS WITH ALKL GENE PRODUCT EVONIK OPERATIONS GMBH (DE) 2013-02-28 US disclosed
US-8313755-B2 Long-chain fatty acid having 12 to 24 carbon atoms, a nonionic surface active agent; cosmetics, bath agents, hair-care products, external preparations for the skin TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-11-20 US disclosed
EP-1153595-B1 Clear aqueous ceramide composition TAKASAGO PERFUMERY CO LTD (JP) 2012-08-29 EP disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-1254651-B1 Use of fragrance retaining composition TAKASAGO PERFUMERY CO LTD (JP) 2007-12-12 EP disclosed
EP-1254651-A1 Fragrance retaining composition and use Takasago International Corporation (JP) 2002-11-06 EP disclosed
US-20020010215-A1 Clear aqueous ceramide composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-24 US disclosed
EP-1153595-A2 Clear aqueous ceramide composition Takasago International Corporation (JP) 2001-11-14 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 (4 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-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 GPR84 334/4885FFAR1 385/4885FFAR4 1089/4885
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio CACNG1, VIPR1, CAP1 GPR84 334/4885FFAR1 385/4885FFAR4 1089/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 GPR84 77/4885FFAR1 229/4885FFAR4 319/4885
US-20020010215-A1 Clear aqueous ceramide composition CERS2, CERT1, SGMS1 GPR84 817/4885FFAR1 50/4885FFAR4 270/4885

“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.