SCHEMBL24259356

SCHEMBL24259356

C=C(/C=C(C)\C=C(/C)NC)c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KCNK3 O14649 2/20 0.36
▸ KCNK9 Q9NPC2 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL16119884 0.76 MEN1 (0.33) SMN1; SMN2MEN1KMT2A
SCHEMBL23268271 0.76 PARP1 (0.52) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL16119886 0.72 MAOA (0.38) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL12802064 0.71 TDP1 (0.52) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL14392730 0.71 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL23268278 0.71 ELANE (0.44) PARP1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24711143 0.70 PARP1 (0.47) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL13799173 0.69 PARP1 (0.47) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL610252 0.68 PARP1 (0.54) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL29444189 0.68 PARP1 (0.54) HDAC8HDAC6PARP1SMN1; SMN2MEN1

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 HDAC8 995/4885HDAC6 477/4885PARP1 4628/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC8 995/4885HDAC6 477/4885PARP1 4628/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC8 995/4885HDAC6 477/4885PARP1 4628/4885

“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.

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