SCHEMBL4396155

SCHEMBL4396155

CCCc1ccc(-c2ccc(COc3cccc(CSCC(=O)OC)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 4/20 0.46
SMPD1 P17405 4/20 0.45
BCHE P06276 3/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
LTC4S Q16873 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL4391311 0.90 CYP1A2 (0.58) CYP1A2FFAR1SMPD1BCHELTB4R
SCHEMBL4396609 0.90 SMPD1 (0.55) CYP1A2FFAR1SMPD1BCHETSHR
SCHEMBL4400261 0.87 ROCK2 (0.49) CYP1A2SMPD1KMT2ASMN1; SMN2CYP2D6
SCHEMBL13591534 0.85 CYP1A2 (0.41) CYP1A2FFAR1SMPD1BCHELTB4R
SCHEMBL4396452 0.83 CYP1A2 (0.52) CYP1A2FFAR1SMPD1BCHEKMT2A
SCHEMBL4401820 0.83 SMPD1 (0.60) CYP1A2SMPD1TSHR
SCHEMBL4402844 0.82 CYP1A2 (0.51) CYP1A2FFAR1BCHEKMT2A
SCHEMBL4391276 0.82 FFAR1 (0.47) CYP1A2FFAR1SMPD1KMT2AMAOB
SCHEMBL4392684 0.81 ALDH1A1 (0.49) CYP1A2KMT2ATSHRCYP2D6MAOB
SCHEMBL4396125 0.81 SMPD1 (0.50) FFAR1SMPD1BCHECYP2D6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP claimed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US claimed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US claimed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-6506757-B1 A peroxisome proliferator activated receptor regulator containing a carboxylic acid derivative, is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive and/or a remedy for diseases associating metabolic disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 US disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 316/4885FFAR1 9/4885SMPD1 2249/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 322/4885FFAR1 12/4885SMPD1 2710/4885

“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.