SCHEMBL4391107

SCHEMBL4391107

COC(=O)CCCCc1cccc(OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
FFAR1 O14842 4/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MGLL Q99685 1/20 0.51
PTGES O14684 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX5 P09917 1/20 0.49
LTC4S Q16873 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
AKR1B1 P15121 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL4391093 0.96 SMPD1 (0.55) SMPD1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL5848310 0.89 PPARA (0.57) SMPD1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL4392789 0.88 FFAR1 (0.64) SMPD1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL12646542 0.86 FFAR1 (0.60) SMPD1FFAR1AKR1B1FFAR4NR4A2
SCHEMBL10683288 0.85 FFAR1 (0.63) SMPD1FFAR1CYP4F2CYP4A11PTGES
SCHEMBL4396125 0.84 SMPD1 (0.50) SMPD1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL4397831 0.84 FFAR1 (0.66) SMPD1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL10685473 0.83 FFAR1 (0.61) FFAR1MGLLALOX5FFAR4BCHE
SCHEMBL20628670 0.82 HDAC2 (0.65) FFAR1MGLLHDAC1HDAC2
SCHEMBL9142027 0.81 MGLL (0.66) FFAR1MGLLALOX5HDAC1HDAC2

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-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 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
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-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 SMPD1 2249/4885FFAR1 9/4885CYP4F2 496/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD SMPD1 2710/4885FFAR1 12/4885CYP4F2 440/4885

“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.