SCHEMBL5730486

SCHEMBL5730486

CCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HPGD P15428 6/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.46
PRKCZ Q05513 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL5732191 0.95 PRKCZ (0.49) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL6092387 0.88 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL6089942 0.86 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL5731315 0.84 HSD17B10 (0.44) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL15497074 0.83 POLB (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL26108995 0.82 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL30590644 0.81 ALDH1A1 (0.49) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL1126789 0.80 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL5731877 0.80 PRKCZ (0.47) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL31555567 0.79 IMPDH2 (0.57) ALDH1A1HPGDALOX15HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 ALDH1A1 1452/4885HPGD 77/4885ALOX15 335/4885

“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.