SCHEMBL3587465

SCHEMBL3587465

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.51
FFAR4 Q5NUL3 7/20 0.43
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21847982 0.81 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL3587460 0.80 NPC1 (0.39) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3595120 0.75 FFAR1 (0.50) FFAR1FFAR4POLBNPC1RAB9A
SCHEMBL5746155 0.72 MTNR1A (0.39) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6813969 0.71 NPC1 (0.55) NPC1RAB9A
SCHEMBL3400419 0.71 APP (0.40) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL31533131 0.71 NPC1 (0.40) POLBNPC1RAB9A
SCHEMBL23039635 0.69 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5250063 0.69 FFAR1 (1.00) FFAR1FFAR4POLBNPC1RAB9A
SCHEMBL31533168 0.68 CSNK2A2 (0.52) POLBNPC1RAB9ASMN1; 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 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 FFAR1 46/4885FFAR4 192/4885POLB 2961/4885

“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.