SCHEMBL6517016

SCHEMBL6517016

COC(=O)c1cccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
APEX1 P27695 1/20 0.51
KDM4E B2RXH2 4/20 0.46
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
SRD5A2 P31213 1/20 0.46
LMNA P02545 2/20 0.46
NSD2 O96028 1/20 0.45
DHODH Q02127 1/20 0.44
NGFR P08138 1/20 0.44
EIF4A3 P38919 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
FBP1 P09467 1/20 0.42

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
SCHEMBL11035155 0.84 HSD17B10 (0.62) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL7877965 0.83 KDM4E (0.56) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3633330 0.83 HPGD (0.57) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL6516931 0.82 MMP1 (0.50) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL7014604 0.81 KDM4E (0.48) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6517241 0.80 HPGD (0.54) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL1144995 0.78 HPGD (0.62) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL7414885 0.78 MTNR1A (0.46) HPGDHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL5414816 0.77 ALDH1A1 (0.44) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL5618186 0.76 KDM4E (0.50) HPGDHSD17B10ALDH1A1MEN1KMT2A

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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK HPGD 4309/4885HSD17B10 4567/4885ALDH1A1 4597/4885

“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.