SCHEMBL24258970

SCHEMBL24258970

COc1ncc(COCCCOC(C)=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 2/20 0.33
NAAA Q02083 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
FTO Q9C0B1 1/20 0.31
LMNA P02545 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA2 P00918 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
SCHEMBL11196321 0.80 KDM4E (0.33) ALDH1A1HRH3FTOLMNACYP1A2
SCHEMBL24258852 0.80 FTO (0.34) TNKS2HRH3L3MBTL1FTO
SCHEMBL24258838 0.72 TUBB4A (0.35) ALDH1A1KMT2AFTOMEN1
SCHEMBL20963533 0.71 NPC1 (0.50) ALDH1A1L3MBTL1KMT2ATSHRLMNA
SCHEMBL30326720 0.69 ALDH1A1 (0.64) TNKS2ALDH1A1TSHRLMNAAPOBEC3A
SCHEMBL2844204 0.69 ALDH1A1 (0.64) TNKS2ALDH1A1TSHRLMNAAPOBEC3A
SCHEMBL30326809 0.69 ALDH1A1 (0.64) TNKS2ALDH1A1TSHRLMNAAPOBEC3A
SCHEMBL30326816 0.69 ALDH1A1 (0.64) TNKS2ALDH1A1TSHRLMNAAPOBEC3A
SCHEMBL31243393 0.69 ALDH1A1 (0.64) TNKS2ALDH1A1TSHRLMNAAPOBEC3A
SCHEMBL28461120 0.68 ALDH1A1 (0.61) ALDH1A1NAAAL3MBTL1TSHRLMNA

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 TNKS2 4370/4885ALDH1A1 2862/4885HRH3 1598/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TNKS2 4370/4885ALDH1A1 2862/4885HRH3 1598/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TNKS2 4370/4885ALDH1A1 2862/4885HRH3 1598/4885

“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.