SCHEMBL24259294

SCHEMBL24259294

C=C(CCF)C(=O)N(CCCCCC(=O)OC)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.37
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
PTPRC P08575 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 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
SCHEMBL24602602 0.87 LMNA (0.41) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL24259367 0.87 ALDH1A1 (0.35) MTNR1AMTNR1BALDH1A1NPC1TP53
SCHEMBL24258986 0.85 MLYCD (0.36) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL24602589 0.83 MTNR1A (0.43) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL24259109 0.82 MLYCD (0.34) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL24602625 0.82 NPC1 (0.32) MTNR1AMTNR1BALDH1A1NPC1TP53
SCHEMBL24259121 0.82 ALDH1A1 (0.36) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL22350387 0.79 TP53 (0.47) MLYCDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL24258809 0.77 RAD52 (0.35) MTNR1AMTNR1BALDH1A1MAPTKMT2A
SCHEMBL24259047 0.77 RXRA (0.39) MTNR1AMTNR1BALDH1A1MAPTKMT2A

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 MLYCD 3419/4885MTNR1A 555/4885MTNR1B 679/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MLYCD 3419/4885MTNR1A 555/4885MTNR1B 679/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MLYCD 3419/4885MTNR1A 555/4885MTNR1B 679/4885

“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.