SCHEMBL20601992

SCHEMBL20601992

CC(C)(C)OC(=O)n1c2c(c3c(Br)cccc31)CCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
TP53 P04637 1/20 0.44
UCHL1 P09936 2/20 0.42
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
NR1H2 P55055 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL29896512 1.00 CREBBP (0.44) CREBBPTP53UCHL1CCNB2CDK1
SCHEMBL20602030 0.82 TP53 (0.48) CREBBPTP53KDM4EHSD17B10BRD4
SCHEMBL29896524 0.80 TP53 (0.39) CREBBPTP53CCNB2CDK1CCNB1
SCHEMBL2360890 0.80 TP53 (0.39) CREBBPTP53CCNB2CDK1CCNB1
SCHEMBL28817783 0.79 NR1H2 (0.43) UCHL1NR1H2CHRM2CHRM4CHRM1
SCHEMBL29793615 0.79 NR1H2 (0.43) UCHL1NR1H2CHRM2CHRM4CHRM1
SCHEMBL2359990 0.78 TP53 (0.40) CREBBPTP53CCNB2CDK1CCNB1
SCHEMBL22529425 0.77 TP53 (0.37) CREBBPTP53CCNB2CDK1CCNB1
SCHEMBL20601981 0.77 CCNB2 (0.48) CREBBPTP53UCHL1CCNB2CDK1
SCHEMBL4152604 0.77 CCNB2 (0.57) CREBBPTP53CCNB2CDK1CCNB1

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
US-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 CREBBP 272/4885TP53 3744/4885UCHL1 3843/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 CREBBP 272/4885TP53 3744/4885UCHL1 3843/4885

“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.