SCHEMBL10236929

SCHEMBL10236929

COC(=O)c1ccc(COc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.82
MAPT P10636 7/20 0.82
NPC1 O15118 5/20 0.82
SMN1; SMN2 Q16637 4/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
LMNA P02545 2/20 0.66
POLB P06746 1/20 0.65
RXRA P19793 1/20 0.65
RXRB P28702 1/20 0.65
ALDH1A1 P00352 3/20 0.64
HTT P42858 1/20 0.64
PARP10 Q53GL7 1/20 0.62
FFAR1 O14842 1/20 0.61
PTPRC P08575 1/20 0.61
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
MAOB P27338 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60

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
SCHEMBL11350421 1.00 RAB9A (0.82) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL3729907 0.95 NPC1 (0.75) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL12086470 0.95 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6959174 0.93 NPC1 (0.73) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL898771 0.93 RXRA (0.77) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL11363883 0.93 RAB9A (0.73) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL255214 0.92 NPC1 (0.71) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL254368 0.92 NPC1 (0.71) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL18569721 0.92 LOXL2 (0.75) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6326840 0.92 RAB9A (0.71) RAB9AMAPTNPC1SMN1; SMN2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 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 (2 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS RAB9A 1106/4885MAPT 4328/4885NPC1 191/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS RAB9A 1106/4885MAPT 4328/4885NPC1 191/4885

“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.