SCHEMBL2628677

SCHEMBL2628677

CC(O)C1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.59
ALDH1A1 P00352 11/20 0.59
HSD17B10 Q99714 7/20 0.59
HPGD P15428 7/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 2/20 0.59
NPSR1 Q6W5P4 3/20 0.55
POLB P06746 6/20 0.55
GLA P06280 1/20 0.54
MAPT P10636 11/20 0.52
USP2 O75604 1/20 0.52
ESR1 P03372 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PTK2B Q14289 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL24449110 0.80 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL19307174 0.80 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL29614895 0.80 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL2628778 0.78 TRPM8 (0.52) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL2243144 0.77 ALDH1A1 (0.76) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL2628682 0.76 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL2628776 0.75 MAPT (0.56) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL29000625 0.75 KDM4E (0.77) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL2244900 0.73 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL19307177 0.72 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10HPGDRAB9A

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
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 4239/4885ALDH1A1 4742/4885HSD17B10 3871/4885

“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.