SCHEMBL4025848

SCHEMBL4025848

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc4ccc(OCc5ccccc5)cc4[nH]3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.43
PARP1 P09874 1/20 0.41
KIF11 P52732 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MAOB P27338 2/20 0.39
ACHE P22303 1/20 0.39
ITK Q08881 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTPN1 P18031 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GCGR P47871 1/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL4026366 0.94 KDM4E (0.44) FLT3PARP1KIF11CTSVCTSL
SCHEMBL4029245 0.87 ITK (0.45) PARP1KIF11ITKKMT2ASMN1; SMN2
SCHEMBL10293503 0.87 PARP1 (0.45) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL4033530 0.85 KIF11 (0.46) PARP1KIF11CTSVCTSLHDAC1
SCHEMBL772338 0.85 LNPEP (0.42) PARP1KIF11CTSVCTSLHDAC1
SCHEMBL4030104 0.84 KIF11 (0.53) FLT3PARP1KIF11ITKKMT2A
SCHEMBL4823115 0.83 PARP1 (0.40) PARP1KIF11CTSVCTSLHDAC1
SCHEMBL1954431 0.81 PARP1 (0.45) PARP1KIF11CTSVCTSLHDAC1
SCHEMBL771413 0.81 PARP1 (0.38) PARP1KIF11CTSVCTSLHDAC1
SCHEMBL4030915 0.80 PARP1 (0.43) PARP1KIF11ITKKMT2ASMN1; 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 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 FLT3 2350/4885PARP1 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.