SCHEMBL14968941

SCHEMBL14968941

COC(=O)c1ccc2c(c1)CCC2Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
GFRA3 O60609 2/20 0.44
RET P07949 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GFRA2 O00451 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL14966432 0.93 FFAR1 (0.46) FFAR1MAPTRAB9ACHRNB2CHRNA4
SCHEMBL14969169 0.87 KDM5A (0.46) FFAR1GFRA3RETGFRA2ALDH1A1
SCHEMBL14967433 0.79 KDM5A (0.47) FFAR1GFRA3RETMAPTRAB9A
SCHEMBL31125691 0.79 SLC6A4 (0.39) FFAR1MAPTRAB9ACHRNB2CHRNA4
SCHEMBL31125659 0.79 SLC6A4 (0.39) FFAR1MAPTRAB9ACHRNB2CHRNA4
SCHEMBL28584566 0.79 SLC6A4 (0.39) FFAR1MAPTRAB9ACHRNB2CHRNA4
SCHEMBL16499816 0.76 CHRNB2 (0.48) MAPTRAB9ACHRNB2CHRNA4KDM4E
SCHEMBL31511361 0.76 CHRNB2 (0.48) MAPTRAB9ACHRNB2CHRNA4KDM4E
SCHEMBL803471 0.75 CHRNB2 (0.47) MAPTRAB9ACHRNB2CHRNA4KDM4E
SCHEMBL1271484 0.75 CHRNB2 (0.47) MAPTRAB9ACHRNB2CHRNA4KDM4E

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 7 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-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 4565/4885GFRA3 3404/4885RET 3271/4885

“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.