SCHEMBL5234822

SCHEMBL5234822

COCCOc1c(N(C)C(=O)O)n(CC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR2 P25025 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL5239030 0.89 L3MBTL1 (0.39) ALDH1A1KDM4EGAA
SCHEMBL5232660 0.84 PSEN1 (0.35) CYP2D6
SCHEMBL5237464 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL6106133 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTRAB9AHSP90AA1
SCHEMBL6702509 0.79 L3MBTL1 (0.36) ALDH1A1KDM4EMAPTGAA
SCHEMBL6698510 0.79 PGR (0.41) KDM4EMAPTHSD17B10KMT2AMAPK8
SCHEMBL5236407 0.79 PGR (0.41) KDM4EMAPTHSD17B10KMT2ADPP4
SCHEMBL5237691 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL5231052 0.78 PSEN1 (0.35) ALDH1A1MAPTRAB9AKMT2AGAA
SCHEMBL5233709 0.78 PSEN1 (0.35) ALDH1A1MAPTRAB9AKMT2ADPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 ALDH1A1 387/4885KDM4E 897/4885MAPT 4855/4885

“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.