SCHEMBL4029245

SCHEMBL4029245

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4ccc(OC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.45
PARP1 P09874 1/20 0.43
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
JAK2 O60674 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
SCHEMBL4030915 0.93 PARP1 (0.43) ITKPARP1KIF11ALDH1A1KDM4E
SCHEMBL4030104 0.87 KIF11 (0.53) ITKPARP1KIF11ALDH1A1KDM4E
SCHEMBL4025848 0.87 FLT3 (0.43) ITKPARP1KIF11ALDH1A1KDM4E
SCHEMBL5443018 0.84 PARP1 (0.47) PARP1KIF11ALDH1A1KDM4EGAA
SCHEMBL2279943 0.83 PARP1 (0.45) PARP1KIF11ALDH1A1KDM4EHSD17B10
SCHEMBL3247052 0.80 PARP1 (0.42) PARP1KIF11ALDH1A1KDM4EHSD17B10
SCHEMBL4026366 0.80 KDM4E (0.44) PARP1KIF11ALDH1A1KDM4EHSD17B10
SCHEMBL2281027 0.78 EGFR (0.41) PARP1KIF11ALDH1A1KDM4EHSD17B10
SCHEMBL14448734 0.78 KIF11 (0.51) PARP1KIF11ALDH1A1KDM4EHSD17B10
SCHEMBL1173665 0.78 KIF11 (0.55) PARP1KIF11ALDH1A1KMT2AMEN1

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 ITK 4496/4885PARP1 943/4885KIF11 3508/4885

“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.