SCHEMBL4900935

SCHEMBL4900935

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HPGD P15428 6/20 0.61
RAB9A P51151 5/20 0.61
KDM4E B2RXH2 5/20 0.61
NPC1 O15118 5/20 0.61
HSD17B10 Q99714 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
TDP1 Q9NUW8 2/20 0.54
CA1 P00915 3/20 0.53
IGLV6-57 P01721 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
CA2 P00918 1/20 0.52
MAPT P10636 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
SCHEMBL13768103 0.81 RAB9A (0.58) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL30070767 0.80 RAB9A (0.56) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL29543904 0.80 RAB9A (0.64) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL26606001 0.79 CA12 (0.61) CA12CA9CA1CA2POLB
SCHEMBL26606003 0.79 CA12 (0.61) CA12CA9CA1CA2POLB
SCHEMBL9787706 0.79 CA12 (0.65) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL5308606 0.78 RAB9A (0.67) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL29544001 0.78 RAB9A (0.67) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL3992539 0.78 RAB9A (0.67) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL30070592 0.78 TDP1 (0.55) ALDH1A1HPGDRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors AMERICAN DIAGNOSTICA INC. 2008-11-13 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-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors SERPINE1, SERPINC1, SERPINB1 ALDH1A1 1116/4885HPGD 646/4885RAB9A 2697/4885

“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.