SCHEMBL14966658

SCHEMBL14966658

Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3ccccc3)cc2)c(O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KLKB1 P03952 3/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
HPGD P15428 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14967419 1.00 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1LTB4RLTB4R2MAPK14
SCHEMBL14967406 1.00 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1LTB4RLTB4R2MAPK14
SCHEMBL14966798 0.92 KLKB1 (0.44) SMN1; SMN2KLKB1MAPK14ALDH1A1MEN1
SCHEMBL14972144 0.92 SMN1; SMN2 (0.42) SMN1; SMN2MAPK14ALDH1A1HPGDPOLB
SCHEMBL14967141 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KLKB1MAPK14ALDH1A1KDM4E
SCHEMBL14967264 0.91 SMN1; SMN2 (0.42) SMN1; SMN2MAPK14ALDH1A1HPGDPOLB
SCHEMBL14967050 0.90 KLKB1 (0.46) SMN1; SMN2KLKB1HPGDMAPTLMNA
SCHEMBL14966539 0.90 LMNA (0.41) SMN1; SMN2KLKB1ALDH1A1HPGDLMNA
SCHEMBL14972266 0.90 LMNA (0.41) SMN1; SMN2KLKB1ALDH1A1HPGDLMNA
SCHEMBL14969416 0.90 PPARA (0.45) SMN1; SMN2MAPK14ALDH1A1HPGDPOLB

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 SMN1; SMN2 3191/4885KLKB1 4203/4885LTB4R 3872/4885

“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.