SCHEMBL14966975

SCHEMBL14966975

COC(=O)c1ccc(C(C)Oc2ccccc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RORC P51449 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PDK2 Q15119 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 1/20 0.41
GCK P35557 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
FFAR1 O14842 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL14966804 0.87 TSHR (0.45) TSHRRORCALDH1A1MEN1KMT2A
SCHEMBL14967139 0.85 TSHR (0.48) TSHRTDP1KDM4EALDH1A1MEN1
SCHEMBL14972264 0.85 TSHR (0.48) TSHRTDP1KDM4EALDH1A1MEN1
SCHEMBL19194090 0.85 TSHR (0.48) TSHRTDP1KDM4EALDH1A1MEN1
SCHEMBL14966937 0.84 TSHR (0.47) TSHRTDP1KDM4EALDH1A1MEN1
SCHEMBL1164773 0.79 ABL1 (0.47) KDM4EALDH1A1PDK2MEN1KMT2A
SCHEMBL14972056 0.77 TSHR (0.56) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL14966893 0.77 TSHR (0.56) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL16957207 0.77 ABL1 (0.45) KDM4EALDH1A1PDK2MEN1LMNA
SCHEMBL19181239 0.76 TSHR (0.45) TSHRTDP1KDM4EALDH1A1MEN1

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 228/4885RORC 2704/4885

“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.