SCHEMBL14968952

SCHEMBL14968952

Cc1cc(C(C)OC(C)C)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
RXRB P28702 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
RXRA P19793 1/20 0.39
RARB P10826 1/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AKR1C2 P52895 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL10417835 0.85 AKR1C2 (0.51) ALDH1A1RXRBACE2RXRARARB
SCHEMBL2627845 0.80 TRPA1 (0.48) ALDH1A1RXRBACE2RXRAKMT2A
SCHEMBL23269861 0.80 ALDH1A1 (0.38) ALDH1A1RXRBACE2RXRAKMT2A
SCHEMBL18703603 0.80 ALDH1A1 (0.45) ALDH1A1RXRBRXRAKMT2AMEN1
SCHEMBL19193471 0.80 ALDH1A1 (0.45) ALDH1A1RXRBRXRAKMT2AMEN1
SCHEMBL14966858 0.80 ALDH1A1 (0.45) ALDH1A1RXRBRXRAKMT2AMEN1
SCHEMBL1516779 0.79 RXRB (0.44) ALDH1A1RXRBACE2RXRARARB
SCHEMBL15934453 0.79 RXRB (0.46) ALDH1A1RXRBACE2RXRARARB
SCHEMBL1598222 0.78 RXRB (0.46) ALDH1A1RXRBRXRARARBKMT2A
SCHEMBL21932509 0.77 HSD17B10 (0.49) ALDH1A1RXRBACE2RXRAKMT2A

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-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
EP-2780013-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075084-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 (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-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ALDH1A1 1213/4885RXRB 1485/4885ACE2 2831/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ALDH1A1 1213/4885RXRB 1485/4885ACE2 2831/4885

“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.