SCHEMBL3340361

SCHEMBL3340361

CCCCCC(=O)C(O)CCCC

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.54
FFAR1 O14842 2/20 0.54
CES2 O00748 2/20 0.54
FFAR4 Q5NUL3 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL1295300 0.95 GPR84 (0.59) GPR84FFAR1CES2FFAR4CES1
SCHEMBL7768831 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL11271581 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL11798444 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL10490506 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL5610620 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL1148737 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
Charcoal, Activated SCHEMBL7765415 0.93 GPR84 (0.57) GPR84FFAR1CES2FFAR4
SCHEMBL11750658 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1
SCHEMBL3424708 0.93 GPR84 (0.63) GPR84FFAR1CES2FFAR4CES1

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
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP claimed
CN-1040332-A Fluorine-containing aromatic sulfonic acid catalyzer and method for making and purposes MITSUI PETROCHEMICAL IND (JP) 1990-03-14 CN claimed
JP-2111739-A None JP disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
WO-2010047774-A2 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF THE TEXAS A & M UNIVERSITY SYSTEM (US) 2010-04-29 WO disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
JP-H02111739-A PREPARATION OF HYDROXYARYL ARYL KETONES MITSUI PETROCHEM IND LTD 1990-04-24 JP disclosed
CN-1040332-A Fluorine-containing aromatic sulfonic acid catalyzer and method for making and purposes MITSUI PETROCHEMICAL IND (JP) 1990-03-14 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 (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-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 GPR84 3153/4885FFAR1 2989/4885CES2 1884/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 GPR84 3153/4885FFAR1 2989/4885CES2 1884/4885

“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.