SCHEMBL14966813

SCHEMBL14966813

CC(Oc1ccccc1)c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTGS1 P23219 3/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
PTGS2 P35354 2/20 0.41
TSHR P16473 2/20 0.41
FABP2 P12104 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL14966937 0.87 TSHR (0.47) FFAR1PPARAALDH1A1ALOX5MEN1
SCHEMBL18703603 0.84 ALDH1A1 (0.45) FFAR1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL14966858 0.84 ALDH1A1 (0.45) FFAR1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL19193471 0.84 ALDH1A1 (0.45) FFAR1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL14966804 0.82 TSHR (0.45) FFAR1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL17319366 0.78 AKR1C3 (0.41) FFAR1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL6550157 0.77 EIF4A3 (0.47) ALDH1A1MEN1KMT2APTGS1AKR1C3
SCHEMBL17319367 0.77 SLC6A4 (0.46) FFAR1PPARAALOX5MEN1KMT2A
SCHEMBL1498847 0.76 MRGPRX4 (0.48) ALDH1A1MEN1KMT2APTGS1AKR1C3
SCHEMBL21882577 0.74 MEN1 (0.41) ALDH1A1MEN1KMT2APTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 FFAR1 4565/4885PPARA 3587/4885ALDH1A1 1213/4885

“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.