SCHEMBL20100934

SCHEMBL20100934

CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
STS P08842 4/20 0.54
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
CYP19A1 P11511 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
PREP P48147 1/20 0.40

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
SCHEMBL20100938 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL20100952 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL20100937 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL20100942 0.80 CYP2D6 (0.50) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL110657 0.79 SMN1; SMN2 (0.68) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647410 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647433 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647562 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27667920 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647587 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS

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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US disclosed
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 SMN1; SMN2 4843/4885HTT 4532/4885NPC1 126/4885

“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.