SCHEMBL1701113

SCHEMBL1701113

CC(=O)Oc1cc(C)c2[nH]c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.49
GLA P06280 10/20 0.49
GAA P10253 9/20 0.49
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 7/20 0.49
MAPT P10636 6/20 0.49
CASP1 P29466 6/20 0.49
CASP7 P55210 6/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
ADORA2A P29274 1/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 3/20 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
SCHEMBL2489749 0.91 KDM4E (0.40) KDM4EGLAGAAALDH1A1HSD17B10
SCHEMBL2491701 0.85 CREBBP (0.40) KDM4EGLAGAAALDH1A1HSD17B10
SCHEMBL1285858 0.79 SYK (0.35) EPHX2
SCHEMBL1285709 0.76 CREBBP (0.41) KDM4EALDH1A1HTTEPHX2NPC1
SCHEMBL3963897 0.76 KMT2A (0.43) KDM4EALDH1A1HSD17B10POLBTDP1
SCHEMBL9610690 0.74 CREBBP (0.56) KDM4EGLAGAAALDH1A1HSD17B10
SCHEMBL1285358 0.74 KDR (0.45) KDM4EGLAGAAALDH1A1HSD17B10
SCHEMBL11132639 0.73 NOS1 (0.52) KDM4EHSD17B10MAPTTSHRCA12
SCHEMBL1286048 0.73 TTR (0.41) KDM4EGAAALDH1A1HSD17B10EPHX2
SCHEMBL1285701 0.73 CREBBP (0.58) KDM4EGAAALDH1A1HSD17B10MAPT

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
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 KDM4E 4588/4885GLA 846/4885GAA 1088/4885

“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.