SCHEMBL3319962

SCHEMBL3319962

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ENPEP Q07075 1/20 0.38

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
SCHEMBL3321274 0.98 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29850978 0.95 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29445883 0.94 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1552674 0.94 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30828778 0.92 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4245707 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5888957 0.90 MAP2K1 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29987184 0.88 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29470083 0.88 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29851098 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119055662-A Application of ginkgolic acid in preparation of medicine for treating acute lung injury 中国中医科学院中药研究所 2024-12-03 CN disclosed
US-20100068150-A1 Selective Caspase Inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-03-18 US disclosed
US-20100016228-A1 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES AYANDA BIOSYSTEMS SA (CH) 2010-01-21 US disclosed
US-7566764-B2 Truncated BARD1 protein, and its diagnostic and therapeutic uses AYANDA BIOSYSTEMS SA (CH) 2009-07-28 US disclosed
US-20040234959-A1 Truncated bard1 protein, and its diagnostic and therapeutic uses EUROGOLD LIMITED (AU) 2004-11-25 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-20100068150-A1 Selective Caspase Inhibitors CASP14, MLKL, CASP7 KDM4E 2814/4885ALDH1A1 3882/4885HPGD 3836/4885

“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.