SCHEMBL14966937

SCHEMBL14966937

COC(=O)c1ccc(C(C)Oc2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
MEN1 O00255 3/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PPARA Q07869 1/20 0.40
FFAR1 O14842 1/20 0.40
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 2/20 0.39
MET P08581 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
SCHEMBL14966813 0.87 FFAR1 (0.46) TSHRALOX5ALDH1A1KMT2AAKR1C3
SCHEMBL14972264 0.85 TSHR (0.48) TSHRTDP1ALOX5ALDH1A1KMT2A
SCHEMBL19194090 0.85 TSHR (0.48) TSHRTDP1ALOX5ALDH1A1KMT2A
SCHEMBL14967139 0.85 TSHR (0.48) TSHRTDP1ALOX5ALDH1A1KMT2A
SCHEMBL14966975 0.84 TSHR (0.47) TSHRTDP1ALOX5ALDH1A1KMT2A
SCHEMBL1498779 0.79 CA12 (0.43) ALDH1A1KMT2AATMKDM4EHPGD
SCHEMBL7220810 0.79 MAPT (0.47) ALDH1A1ATMKDM4EHPGDGLA
SCHEMBL31455721 0.78 CA12 (0.42) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL18758435 0.77 DPP4 (0.45) TSHRALDH1A1KMT2AATMKDM4E
SCHEMBL14966893 0.77 TSHR (0.56) TSHRTDP1ALOX5ALDH1A1KMT2A

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-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 TSHR 4426/4885TDP1 228/4885ALOX5 1477/4885

“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.