SCHEMBL4028320

SCHEMBL4028320

COC(=O)c1ccc2c(C3CCCCC3)c(B3OCC(C)(C)CO3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.39
CSNK2A1 P68400 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GSK3B P49841 1/20 0.38
HPGD P15428 2/20 0.38
DYRK1A Q13627 1/20 0.37
CREBBP Q92793 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL772380 0.90 PARP1 (0.43) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL14607012 0.83 PARP1 (0.39) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL1655310 0.80 GABRA1 (0.38) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL50237 0.79 PARP1 (0.50) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL14448734 0.78 KIF11 (0.51) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL1173615 0.78 KIF11 (0.51) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL11961025 0.77 PARP1 (0.50) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL14263564 0.76 HIF1A (0.35) ALDH1A1MAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL14277633 0.75 PARP1 (0.48) PARP1KIF11ALDH1A1MAPK1RAB9A
SCHEMBL12715624 0.75 PARP1 (0.48) PARP1KIF11ALDH1A1MAPK1RAB9A

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 PARP1 943/4885KIF11 3508/4885ALDH1A1 2784/4885

“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.