SCHEMBL14966804

SCHEMBL14966804

CC(Oc1ccccc1)c1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 1/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
FFAR1 O14842 1/20 0.43
RORC P51449 3/20 0.42
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 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
SCHEMBL14966975 0.87 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1ALOX5FFAR1
SCHEMBL14966858 0.84 ALDH1A1 (0.45) TSHRALDH1A1ALOX5FFAR1LTB4R
SCHEMBL18703603 0.84 ALDH1A1 (0.45) TSHRALDH1A1ALOX5FFAR1LTB4R
SCHEMBL19193471 0.84 ALDH1A1 (0.45) TSHRALDH1A1ALOX5FFAR1LTB4R
SCHEMBL14966813 0.82 FFAR1 (0.46) TSHRALDH1A1ALOX5AKR1C2AKR1C1
SCHEMBL17319354 0.78 LMNA (0.43) SMN1; SMN2ALDH1A1ALOX5FFAR1RORC
SCHEMBL1164729 0.77 SMN1; SMN2 (0.57) TSHRCASP1SMN1; SMN2ALDH1A1AKR1C2
SCHEMBL17319355 0.77 SLC6A2 (0.45) SMN1; SMN2ALOX5FFAR1RORCLTB4R
SCHEMBL21985819 0.77 TSHR (0.45) TSHRCASP1SMN1; SMN2ALDH1A1AKR1C2
SCHEMBL21071460 0.76 TSHR (0.55) TSHRCASP1SMN1; SMN2ALDH1A1AKR1C2

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 4426/4885CASP1 4592/4885SMN1; SMN2 3191/4885

“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.