SCHEMBL3340356

SCHEMBL3340356

Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(=O)O)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 7/20 0.64
HPGD P15428 5/20 0.64
GAA P10253 2/20 0.64
GLA P06280 1/20 0.64
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62
CA1 P00915 3/20 0.62
HSD17B10 Q99714 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 2/20 0.60
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL29477192 1.00 KDM4E (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL22882757 0.91 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL30945852 0.91 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL22882708 0.91 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL3675104 0.89 KDM4E (0.68) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL30983398 0.89 KDM4E (0.68) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5706432 0.88 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29543713 0.88 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL571383 0.88 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL571384 0.88 CA12 (0.62) KDM4EALDH1A1HPGDGAAGLA

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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 KDM4E 623/4885ALDH1A1 614/4885HPGD 1340/4885

“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.