SCHEMBL1409720

SCHEMBL1409720

CCCCCC(C)C[C]=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.45
OPRM1 P35372 1/20 0.42
GPR84 Q9NQS5 7/20 0.40
CA1 P00915 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 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
SCHEMBL8079439 0.98 ACE2 (0.48) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL14336195 0.98 ACE2 (0.48) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL10938434 0.98 ACE2 (0.48) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL448296 0.98 ACE2 (0.48) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL1410326 0.93
SCHEMBL7298035 0.84 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL7298037 0.84 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL269374 0.82
SCHEMBL9258970 0.82 ACE2 (0.34) ACE2OPRM1FDPS
SCHEMBL7289277 0.81 FAAH (0.36) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20150141398-A1 NAMPT INHIBITORS ABBVIE INC. 2015-05-21 US disclosed
EP-2295470-B1 CELLULOSE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF, CELLULOSE RESIN COMPOSITION, MOLDED ARTICLE AND METHOD FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTROCHEMICAL DEVICE FUJIFILM CORP (JP) 2014-06-18 EP disclosed
US-20110098463-A1 CELLULOSE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, CELLULOSE RESIN COMPOSITION, MOLDED MATTER AND METHOD FOR MAKING THE SAME, AND ELECTRICAL AND ELECTRONIC EQUIPMENT HOUSING FUJIFILM CORPORATION (JP) 2011-04-28 US disclosed
EP-2295470-A1 CELLULOSE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF, CELLULOSE RESIN COMPOSITION, MOLDED ARTICLE AND METHOD FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTROCHEMICAL DEVICE FUJIFILM Corporation (JP) 2011-03-16 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 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 (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-20150141398-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT ACE2 2079/4885OPRM1 1658/4885GPR84 2987/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT ACE2 2079/4885OPRM1 1658/4885GPR84 2987/4885

“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.