SCHEMBL24259216

SCHEMBL24259216

COC(=O)CCCCc1cccc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
HPGD P15428 2/20 0.46
MIF P14174 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL10966118 0.89 KMT2A (0.50) KMT2AMEN1OPRM1OPRD1HPGD
SCHEMBL9146179 0.84 HPGD (0.45) HPGDMIFTSHRALDH1A1KCNH2
SCHEMBL3884465 0.82 CYP4F2 (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10381880 0.79 MEN1 (0.52) KMT2AMEN1OPRM1OPRD1HPGD
SCHEMBL7205380 0.78 SMN1; SMN2 (0.47) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL18981803 0.77 HPGD (0.44) KMT2AHPGDMIFTSHRALDH1A1
SCHEMBL6643882 0.76 SMN1; SMN2 (0.55) HPGDALDH1A1LMNA
SCHEMBL8234820 0.76 KCNH2 (0.47) KMT2AMEN1OPRM1OPRD1KCNH2
SCHEMBL19837458 0.75 ALDH1A1 (0.47) KMT2AMEN1OPRM1OPRD1HPGD
SCHEMBL20099859 0.75 KCNH2 (0.50) KMT2AMEN1OPRM1OPRD1KCNH2

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 KMT2A 4497/4885MEN1 3478/4885OPRM1 241/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KMT2A 4497/4885MEN1 3478/4885OPRM1 241/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KMT2A 4497/4885MEN1 3478/4885OPRM1 241/4885

“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.