SCHEMBL24258801

SCHEMBL24258801

O=CCCOCc1nc(C2CC2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.32
LDHA P00338 1/20 0.31
CA12 O43570 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL24258793 0.79 ALOX5AP (0.37) HDAC1HDAC8HDAC6HDAC5ALOX5AP
SCHEMBL24258740 0.76 L3MBTL1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL24258945 0.75 SIRT2 (0.39) HDAC1HDAC8HDAC6HDAC5ALOX5AP
SCHEMBL7292062 0.72 HSD11B1 (0.38) HDAC1HDAC8HDAC6HDAC5ALOX5AP
SCHEMBL28956020 0.70 POLB (0.43) HDAC1HDAC8HDAC6HDAC5ALOX5AP
SCHEMBL24602586 0.69 CNR2 (0.37) L3MBTL1HSD11B1POLBMEN1KMT2A
SCHEMBL10120678 0.67 POLB (0.47) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL19745592 0.67 L3MBTL1 (0.43) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL440391 0.67 L3MBTL1 (0.43) HDAC1HDAC8HDAC6HDAC5ALOX5AP
SCHEMBL9366491 0.67 L3MBTL1 (0.43) HDAC1HDAC8HDAC6HDAC5ALOX5AP

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 3 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-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 (3 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 HDAC1 998/4885HDAC8 995/4885HDAC6 477/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC8 995/4885HDAC6 477/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC8 995/4885HDAC6 477/4885

“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.