SCHEMBL6523949

SCHEMBL6523949

CCCCCC(OC(C)=O)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
GPR84 Q9NQS5 5/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 1/20 0.41
PRKCA P17252 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
LMNA P02545 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL5166969 0.98 FAAH (0.49) FAAHGPR84FFAR1PRKCAZDHHC7
SCHEMBL5745569 0.98 FAAH (0.49) FAAHGPR84FFAR1PRKCAZDHHC7
SCHEMBL5745716 0.94 ALDH1A1 (0.41) FAAHCA1PRKCAALDH1A1LMNA
SCHEMBL11316912 0.86 GPR84 (0.48) FAAHGPR84CA1FFAR1MAPT
SCHEMBL468861 0.86 GPR84 (0.48) FAAHGPR84CA1FFAR1MAPT
SCHEMBL17323727 0.85 TSHR (0.40) FAAHPRKCAALDH1A1MAPTLMNA
SCHEMBL8864069 0.84 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL7758405 0.84 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL4115971 0.84 FAAH (0.44) FAAHGPR84FFAR1PRKCAZDHHC7
SCHEMBL7759354 0.84 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN 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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 FAAH 3203/4885GPR84 2494/4885CA1 1888/4885

“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.