SCHEMBL14967154

SCHEMBL14967154

CC1COc2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
RARA P10276 3/20 0.42
RARG P13631 3/20 0.42
RARB P10826 2/20 0.42
SRD5A2 P31213 1/20 0.41
AKR1B1 P15121 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
TOP2A P11388 1/20 0.36

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
SCHEMBL16742117 0.87 TDP1 (0.50) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL14966793 0.83 NPC1 (0.46) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL31285111 0.81 ALDH1A1 (0.47) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL31040745 0.80 LTB4R (0.53) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL18283983 0.78 RARA (0.55) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL13384313 0.76 TDP1 (0.47) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL28919904 0.76 POLB (0.47) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL18114464 0.75 TDP1 (0.60) LTB4RLTB4R2ALDH1A1MAPK1TDP1
SCHEMBL8584200 0.75 CYP3A4 (0.48)
SCHEMBL16448787 0.75 CYP3A4 (0.48)

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 11 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-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-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-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
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
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 LTB4R 3872/4885LTB4R2 3967/4885ALDH1A1 1213/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 LTB4R 3872/4885LTB4R2 3967/4885ALDH1A1 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.