SCHEMBL3601000

SCHEMBL3601000

COc1ccc(COc2c[nH]c(CCC(=O)O)cc2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.57
FFAR4 Q5NUL3 7/20 0.47
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43

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
SCHEMBL106114 0.84 NPC1 (0.43) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL16229042 0.84 NPC1 (0.43) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL104633 0.82 MTNR1A (0.42) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9741507 0.81 RAB9A (0.51) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2438835 0.79 NPC1 (0.50) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3600996 0.77 POLB (0.44) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10697865 0.76 HDAC8 (0.47) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10697870 0.76 HDAC8 (0.47) FFAR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9366663 0.74 NPC1 (0.48) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5250063 0.74 FFAR1 (1.00) FFAR1FFAR4POLBNPC1RAB9A

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.