SCHEMBL564917

SCHEMBL564917

CCC(=C(C)C)C(O)(C(=O)O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TET2 Q6N021 1/20 0.31

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
Bicarbonate SCHEMBL6982615 0.73 TDP1 (0.36) FFAR3ALDH1A1TDP1
SCHEMBL22084352 0.66 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL4953246 0.64 FFAR3 (0.42) FFAR3ALDH1A1TDP1TET2
Trifluoroacetic Acid SCHEMBL29603858 0.64 ALDH1A1 (0.59) FFAR3ALDH1A1TDP1
SCHEMBL14776283 0.62 FFAR3 (0.35) FFAR3ALDH1A1TDP1
SCHEMBL2976771 0.62 FFAR3 (0.35) FFAR3ALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL4485807 0.61 FFAR3 (0.62) FFAR3ALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL20527475 0.61 FFAR3 (0.62) FFAR3ALDH1A1TDP1
SCHEMBL9346590 0.61 HDAC3 (0.46) FFAR3ALDH1A1TDP1
SCHEMBL1000250 0.61 TET2 (0.50) FFAR3ALDH1A1TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof INTENDIS GMBH (DE) 2014-07-17 US disclosed
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF SCHWEIZER STEFFEN (DE) 2012-02-09 US disclosed
US-8071796-B2 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof INTENDIS GMBH (DE) 2011-12-06 US disclosed
EP-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP disclosed
US-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-11-06 US disclosed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 WO disclosed
EP-1982976-A1 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof Intendis GmbH (DE) 2008-10-22 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 (3 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-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 FFAR3 197/4885ALDH1A1 1684/4885TDP1 4776/4885
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 FFAR3 197/4885ALDH1A1 1684/4885TDP1 4776/4885
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof CYP2F1, CYP4A11, CYP11B1 FFAR3 200/4885ALDH1A1 1720/4885TDP1 4797/4885

“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.