SCHEMBL4033530

SCHEMBL4033530

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4c(OCc5ccccc5)cccc4[nH]3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
SRD5A2 P31213 1/20 0.45
PARP1 P09874 1/20 0.42
PRMT5 O14744 1/20 0.41
EGFR P00533 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPIA P62937 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1954431 0.87 PARP1 (0.45) KIF11PARP1PRMT5EGFRCTSV
SCHEMBL2280142 0.86 PARP1 (0.42) KIF11SRD5A2PARP1PRMT5EGFR
SCHEMBL4026366 0.85 KDM4E (0.44) KIF11SRD5A2PARP1CTSVCTSL
SCHEMBL4025848 0.85 FLT3 (0.43) KIF11PARP1CTSVCTSLHDAC1
SCHEMBL1952762 0.84 PAX8 (0.44) KIF11PARP1PRMT5EGFRHDAC1
SCHEMBL10293503 0.82 PARP1 (0.45) KIF11PARP1HDAC1HDAC8HDAC6
SCHEMBL4030104 0.81 KIF11 (0.53) KIF11PARP1ALDH1A1RAB9AKDM4E
SCHEMBL4823391 0.79 CNR2 (0.44) KIF11PARP1HDAC1HDAC8HDAC6
SCHEMBL772338 0.79 LNPEP (0.42) KIF11PARP1CTSVCTSLHDAC1
SCHEMBL1173665 0.78 KIF11 (0.55) KIF11PARP1ALDH1A1RAB9AMEN1

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 KIF11 3508/4885SRD5A2 3485/4885PARP1 943/4885

“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.