SCHEMBL10076909

SCHEMBL10076909

CC(CC(=O)O)c1ccc(OCC(COCC2CC2)COc2ccc(C#N)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
CMKLR1 Q99788 11/20 0.39
ACACB O00763 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL225588 0.88 FFAR1 (0.51) FFAR1
SCHEMBL2889482 0.87 FFAR1 (0.45) FFAR1CMKLR1MRGPRX4SLC22A12
SCHEMBL10077183 0.86 FFAR1 (0.46) FFAR1CMKLR1MRGPRX4SLC22A12
SCHEMBL2893994 0.79 NR3C1 (0.42) FFAR1ACACBMRGPRX4SLC22A12
SCHEMBL2885942 0.77 NR3C1 (0.42) FFAR1ACACBMRGPRX4SLC22A12
SCHEMBL224951 0.74 FFAR1 (0.56) FFAR1
SCHEMBL223927 0.73 FFAR1 (0.57) FFAR1
SCHEMBL225589 0.70 FFAR1 (0.51) FFAR1
SCHEMBL14567177 0.69 FFAR1 (0.70) FFAR1CMKLR1
SCHEMBL10077248 0.69 FFAR1 (0.51) FFAR1CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 FFAR1 83/4885CMKLR1 566/4885ACACB 2850/4885

“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.