SCHEMBL4026366

SCHEMBL4026366

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FLT3 P36888 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PARP1 P09874 1/20 0.41
KIF11 P52732 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL4025848 0.94 FLT3 (0.43) KDM4EALDH1A1HSD17B10FLT3PDGFRB
SCHEMBL4030915 0.87 PARP1 (0.43) KDM4EALDH1A1HPGDHSD17B10PDGFRB
SCHEMBL10293503 0.87 PARP1 (0.45) KDM4EALDH1A1HSD17B10PARP1KIF11
SCHEMBL4033530 0.85 KIF11 (0.46) KDM4EALDH1A1HPGDSRD5A2HSD17B10
SCHEMBL772338 0.85 LNPEP (0.42) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL4030104 0.84 KIF11 (0.53) KDM4EALDH1A1HPGDFLT3PARP1
SCHEMBL4823115 0.83 PARP1 (0.40) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL1954431 0.81 PARP1 (0.45) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL771413 0.81 PARP1 (0.38) KDM4EALDH1A1HPGDPARP1KIF11
SCHEMBL4029245 0.80 ITK (0.45) KDM4EALDH1A1CYP1A2HPGDHSD17B10

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-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS KDM4E 2576/4885ALDH1A1 2784/4885CYP1A2 1042/4885

“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.