SCHEMBL13779255

SCHEMBL13779255

CCCc1cc(=O)oc2cc(OCC(N)=O)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.73
ALDH1A1 P00352 11/20 0.73
HPGD P15428 9/20 0.73
KMT2A Q03164 6/20 0.73
PKM P14618 3/20 0.73
NPSR1 Q6W5P4 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HSD17B10 Q99714 5/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
HSP90AA1 P07900 1/20 0.64
CYP2D6 P10635 1/20 0.64
POLB P06746 3/20 0.64
MEN1 O00255 2/20 0.64
USP2 O75604 1/20 0.64
DUSP3 P51452 1/20 0.64
BLM P54132 1/20 0.64

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
SCHEMBL13381685 0.91 ALDH1A1 (0.73) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL5717615 0.82 AR (0.73) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11946745 0.81 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL15984893 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL14028419 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL24198275 0.80 ALDH1A1 (0.74) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL15499732 0.80 ALDH1A1 (0.79) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL14756052 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL11390799 0.79 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL14027239 0.79 KDM4E (0.63) KDM4EALDH1A1HPGDKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE KDM4E 2954/4885ALDH1A1 4689/4885HPGD 3252/4885

“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.