SCHEMBL3587460

SCHEMBL3587460

COc1ccc(COc2cnc(C(C)C(=O)O)cc2C#C[Si](C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
FFAR1 O14842 6/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
LDHA P00338 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
ADAMTS4 O75173 1/20 0.36
PLA2G4B P0C869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21847981 0.81 ABCB1 (0.46) NPC1POLBRAB9ASMN1; SMN2FFAR1
SCHEMBL3587465 0.80 FFAR1 (0.51) NPC1POLBRAB9ASMN1; SMN2FFAR1
SCHEMBL3595114 0.75 CXCR2 (0.41) NPC1POLBRAB9ASMN1; SMN2KDM5A
SCHEMBL6813969 0.71 NPC1 (0.55) NPC1RAB9AALDH1A1
SCHEMBL3400419 0.71 APP (0.40) NPC1POLBRAB9ASMN1; SMN2FFAR1
SCHEMBL31533131 0.71 NPC1 (0.40) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL23039635 0.69 NPC1 (0.43) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL31533168 0.68 CSNK2A2 (0.52) NPC1POLBRAB9ASMN1; SMN2CSNK2A2
SCHEMBL19801535 0.67 NPC1 (0.43) NPC1POLBRAB9ASMN1; SMN2HDAC8
SCHEMBL10773919 0.67 FFAR1 (0.54) NPC1POLBRAB9ASMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 NPC1 163/4885POLB 2961/4885RAB9A 4113/4885

“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.