SCHEMBL2686401

SCHEMBL2686401

CCOC(=O)c1c(C(C)(C(=O)OCC)C(=O)OCC)c2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 6/20 0.53
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL3587646 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL2685835 0.82 ATM (0.47) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL9867870 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL30639225 0.79 TSHR (0.66) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL7878088 0.79 TSHR (0.66) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL23931478 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL8689676 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL1920160 0.77 MAPT (0.62) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL9867866 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL14865508 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 EP disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 ALDH1A1 1346/4885KDM4E 2768/4885TSHR 1352/4885

“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.