SCHEMBL3724713

SCHEMBL3724713

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc4cc[nH]c34)n(CCO)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
SCN9A Q15858 3/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
NR3C1 P04150 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL3721352 0.90 PDE4D (0.35) PKMPRKCAMMP12SCN9AADORA1
SCHEMBL3726576 0.89 SCN9A (0.37) PRKCAMMP12SCN9AADORA1ALDH1A1
SCHEMBL13769739 0.82 BRD4 (0.36) PKMSCN9AALDH1A1NPSR1KDM4E
SCHEMBL4826344 0.81 SCN9A (0.41) PKMPRKCAMMP12SCN9AALDH1A1
SCHEMBL769188 0.80 ALDH1A1 (0.40) PKMPRKCAMMP12SCN9AALDH1A1
SCHEMBL13734752 0.79 HDAC1 (0.36) PRKCAMMP12SCN9AALDH1A1NPSR1
SCHEMBL13736811 0.77 CREBBP (0.36) PKMPRKCAMMP12SCN9AALDH1A1
SCHEMBL3720053 0.77 PARP1 (0.44) ALDH1A1NPSR1HPGDPDE4DPDE7A
SCHEMBL772730 0.77 PKM (0.43) PKMSCN9AALDH1A1NPSR1KDM4E
SCHEMBL3594375 0.76 PRKCA (0.38) PRKCAMMP12SCN9AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 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 (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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS PKM 3127/4885PRKCA 4580/4885MMP12 2149/4885

“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.