SCHEMBL20100952

SCHEMBL20100952

CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)OC2CCC3CCCCC3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
STS P08842 4/20 0.41
MAPT P10636 2/20 0.41
PREP P48147 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL20100934 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL20100953 0.84 CYP2D6 (0.36) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL20100954 0.83 CYP2D6 (0.47) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL17941263 0.77 KMT2A (0.45) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL17941237 0.76 STS (0.46) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL17941240 0.76 STS (0.46) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL17941244 0.72 ALOX15 (0.40) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL17941239 0.72 POLB (0.60) SMN1; SMN2MAPTL3MBTL1CYP2C19
SCHEMBL17941233 0.71 SERPINE1 (0.45) SMN1; SMN2NPC1RAB9AHTTSTS

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 4843/4885NPC1 126/4885RAB9A 3041/4885

“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.