SCHEMBL24259026

SCHEMBL24259026

CC(C)(C)c1noc(CCCCCO)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.39
HDAC8 Q9BY41 10/20 0.34
HDAC2 Q92769 9/20 0.34
HDAC1 Q13547 7/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TP53 P04637 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
KLF5 Q13887 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL23222124 0.80 PPARA (0.38) CNR1CNR2TP53SMN1; SMN2RAB9A
SCHEMBL507580 0.79 SIRT2 (0.45) SIRT2CNR1CNR2TP53SMN1; SMN2
SCHEMBL19203779 0.77 NOTUM (0.40) SMN1; SMN2RAB9ANPC1PIK3CG
SCHEMBL24258885 0.77 CNR1 (0.31) HDAC8HDAC2CNR1CNR2TP53
SCHEMBL24258810 0.77 SIRT2 (0.41) SIRT2HDAC8HDAC2HDAC1SMN1; SMN2
SCHEMBL18997069 0.76 PIK3CG (0.34) TP53SMN1; SMN2RAB9AKLF5NPC1
SCHEMBL16544514 0.76 SMN1; SMN2 (0.41) TP53SMN1; SMN2RAB9AKLF5NPC1
SCHEMBL22352584 0.75 HDAC1 (0.41) HDAC8HDAC2HDAC1TP53SMN1; SMN2
SCHEMBL22353808 0.73
Hydrochloric Acid SCHEMBL3712081 0.73 PIK3CG (0.36) TP53SMN1; SMN2RAB9AKLF5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (4 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 SIRT2 2746/4885HDAC8 995/4885HDAC2 1068/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 SIRT2 2746/4885HDAC8 995/4885HDAC2 1068/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 SIRT2 3286/4885HDAC8 2301/4885HDAC2 1719/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 SIRT2 2746/4885HDAC8 995/4885HDAC2 1068/4885

“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.