SCHEMBL20100937

SCHEMBL20100937

Cc1cc(C(=O)OC2CCCCCCC2)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.47
ALPL P05186 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 5/20 0.41
STS P08842 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 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
SCHEMBL20100942 0.87 CYP2D6 (0.50) SMN1; SMN2RAB9ANPC1HTTALPL
SCHEMBL20100953 0.87 CYP2D6 (0.36) SMN1; SMN2RAB9ANPC1HTTALPL
SCHEMBL20100934 0.81 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL20100938 0.81 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL20105087 0.79 DRD2 (0.38) RAB9AALDH1A1MAPTTHRBALOX15
SCHEMBL12554693 0.76 CA12 (0.45) RAB9AHTTALDH1A1LMNAMEN1
SCHEMBL6532547 0.76 DRD2 (0.39) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL17941264 0.75 STS (0.52) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL4196763 0.75 DRD2 (0.39) RAB9AALDH1A1THRBALOX15
SCHEMBL20100954 0.75 CYP2D6 (0.47) SMN1; SMN2RAB9ANPC1ALPLMAPT

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 4843/4885RAB9A 3041/4885NPC1 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.