SCHEMBL13595166

SCHEMBL13595166

BN1CCC(=O)C(C(=O)OC)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL20822144 0.83 BRD4 (0.41) BRD4CYP1A2HIF1AMMP2ANPEP
SCHEMBL13039144 0.82 MAPT (0.46) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2616302 0.81 BRD4 (0.42) BRD4CYP1A2HIF1A
SCHEMBL31496599 0.79 BRD4 (0.38) BRD4CYP1A2HIF1AMMP2ANPEP
Hydrochloric Acid SCHEMBL28031505 0.79 BRD4 (0.41) BRD4CYP1A2HIF1A
SCHEMBL28926595 0.78 CHRNB2 (0.39) BRD4CYP1A2HIF1AALDH1A1
SCHEMBL2447519 0.78 BRD4 (0.37) BRD4CYP1A2HIF1AMMP2ANPEP
SCHEMBL2484846 0.78 BRD4 (0.37) BRD4CYP1A2HIF1AALDH1A1CHRM2
SCHEMBL10359379 0.77 BRD4 (0.36) BRD4CYP1A2HIF1ATP53ALDH1A1
SCHEMBL10017887 0.77 BRD4 (0.36) BRD4CYP1A2HIF1AALDH1A1CYP3A4

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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 BRD4 3105/4885CYP1A2 3010/4885HIF1A 3042/4885

“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.