SCHEMBL4030104

SCHEMBL4030104

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4ccccc4[nH]3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
PARP1 P09874 3/20 0.50
SLC6A3 Q01959 1/20 0.44
ITK Q08881 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GSK3B P49841 2/20 0.39
MAPK1 P28482 1/20 0.38
FLT3 P36888 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 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 0.87 PARP1 (0.43) KIF11PARP1ITKALDH1A1KMT2A
SCHEMBL4029245 0.87 ITK (0.45) KIF11PARP1ITKALDH1A1KMT2A
SCHEMBL4026366 0.84 KDM4E (0.44) KIF11PARP1ALDH1A1FLT3HPGD
SCHEMBL4025848 0.84 FLT3 (0.43) KIF11PARP1ITKALDH1A1KMT2A
SCHEMBL1173665 0.84 KIF11 (0.55) KIF11PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4034998 0.82 SMN1; SMN2 (0.53) KIF11PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL393420 0.82 PARP1 (0.52) KIF11PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5198654 0.82 PARP1 (0.52) KIF11PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4033530 0.81 KIF11 (0.46) KIF11PARP1ALDH1A1KMT2AMEN1
SCHEMBL393756 0.81 PARP1 (0.51) KIF11PARP1ALDH1A1KMT2ASMN1; SMN2

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 6 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
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US 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
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 3508/4885PARP1 943/4885SLC6A3 4562/4885

“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.