SCHEMBL2628776

SCHEMBL2628776

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
HPGD P15428 6/20 0.56
KDM4E B2RXH2 6/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 4/20 0.56
TRPM8 Q7Z2W7 2/20 0.56
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RXFP1 Q9HBX9 2/20 0.48
USP2 O75604 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2628778 0.82 TRPM8 (0.52) MAPTHPGDKDM4ENPC1RAB9A
SCHEMBL2628738 0.81 TRPM8 (0.70) MAPTHPGDNPC1RAB9AALDH1A1
SCHEMBL10073491 0.79 TRPM8 (0.73) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4817890 0.79 TRPM8 (0.73) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4817319 0.75 TRPM8 (0.75) MAPTHPGDNPC1RAB9AALDH1A1
SCHEMBL10073486 0.75 TRPM8 (0.75) MAPTHPGDNPC1RAB9AALDH1A1
SCHEMBL2628672 0.75 TRPM8 (0.75) MAPTHPGDNPC1RAB9AALDH1A1
SCHEMBL4820732 0.75 TRPM8 (0.75) MAPTHPGDNPC1RAB9AALDH1A1
SCHEMBL2628677 0.75 KDM4E (0.59) MAPTHPGDKDM4ENPC1RAB9A
SCHEMBL2243410 0.74 KDM4E (0.76) MAPTHPGDKDM4ENPC1RAB9A

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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
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-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
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 (2 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAPT 2258/4885HPGD 2446/4885KDM4E 3888/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAPT 3379/4885HPGD 1277/4885KDM4E 4239/4885

“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.