SCHEMBL29527731

SCHEMBL29527731

CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.73
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
ALDH1A1 P00352 6/20 0.73
KMT2A Q03164 5/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C19 P33261 1/20 0.73
MAPT P10636 6/20 0.68
HTT P42858 4/20 0.68
LMNA P02545 3/20 0.68
MEN1 O00255 3/20 0.68
GAA P10253 1/20 0.68
TP53 P04637 2/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ADORA2A P29274 1/20 0.59
GABRA1 P14867 1/20 0.58
GABRB2 P47870 1/20 0.58
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55

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
SCHEMBL12238024 0.93 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12941628 0.85 ADORA2A (0.62) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12238004 0.85 PPARG (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12238026 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12238005 0.79 PPARG (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL29365787 0.77 RAB9A (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL29395943 0.77 NPC1 (0.78) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL470778 0.77 NPC1 (0.78) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL10562034 0.75 PPARG (0.75) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL1276647 0.74 INSR (0.46) SMN1; SMN2ALDH1A1KMT2ACYP1A2CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SirTLab Corporation (IL) 2022-03-22 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-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SIRT6, SIRT1, SIRT2 SMN1; SMN2 2708/4885NPC1 1097/4885RAB9A 1219/4885

“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.