SCHEMBL14966808

SCHEMBL14966808

Cc1cc(C)c(CNC(=O)c2ccc(Cc3ccccc3)cc2)c(O)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRM4 P08173 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14966781 0.93 RAB9A (0.47) KLKB1HDAC1HDAC6CHRM4KDM4E
SCHEMBL14967221 0.87 SCD (0.53) KLKB1HDAC1HDAC6ALDH1A1HPGD
SCHEMBL14966854 0.85 LMNA (0.61) KLKB1HDAC1LMNAMAPTALDH1A1
SCHEMBL14966579 0.85 LMNA (0.56) KLKB1HDAC1KDM4ELMNAMAPT
SCHEMBL14966621 0.85 HDAC1 (0.50) KLKB1HDAC1LMNAMAPTALDH1A1
SCHEMBL14967422 0.85 MAPK14 (0.56) KLKB1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL14966578 0.85 HDAC1 (0.47) KLKB1HDAC1HDAC6KDM4ELMNA
SCHEMBL14966659 0.84 LMNA (0.48) KLKB1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL14967167 0.84 KLKB1 (0.48) KLKB1KDM4ELMNAMAPTALDH1A1
SCHEMBL14966734 0.84 KLKB1 (0.52) KLKB1ALDH1A1HPGDSMN1; SMN2

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 KLKB1 4203/4885HDAC1 141/4885HDAC6 424/4885

“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.