SCHEMBL4848548

SCHEMBL4848548

CC1=C(Br)C(=O)N(C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL1163642 0.82 GSK3A (0.35) CASP3ALDH1A1
SCHEMBL802733 0.78 ALDH1A1 (0.40) CASP3ALDH1A1
SCHEMBL23974872 0.76
SCHEMBL15281062 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1420111 0.68 RAD51 (0.48) ALDH1A1TP53ALOX15HSD17B10
SCHEMBL6850987 0.67 GSK3A (0.44) CASP3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19543253 0.67 F2 (0.42) ALDH1A1HSD17B10
SCHEMBL13878863 0.67 DUSP3 (0.35) CASP3ALDH1A1TP53CYP2C19HSD17B10
SCHEMBL19721765 0.67 MEN1 (0.31) CASP3
SCHEMBL19059392 0.67 BCL2A1 (0.32) CASP3ALDH1A1TP53HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117276665-A Electrolyte of high-nickel ternary lithium ion battery, and preparation method and application thereof 湖南法恩莱特新能源科技有限公司 2023-12-22 CN disclosed
US-20150191488-A1 METHODS FOR THE ACYLATION OF MAYTANSINOL IMMUNOGEN, INC. 2015-07-09 US disclosed
US-7378419-B2 9-amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2008-05-27 US disclosed
EP-1664055-B9 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2007-10-10 EP disclosed
EP-1664055-B1 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2006-12-13 EP disclosed
US-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-02 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 (2 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-20150191488-A1 METHODS FOR THE ACYLATION OF MAYTANSINOL NAAA, NPPA, AANAT CASP3 2729/4885ALDH1A1 1322/4885TP53 4274/4885
US-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives SIK2, PTK2B, PLK2 CASP3 1062/4885ALDH1A1 3950/4885TP53 3322/4885

“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.