SCHEMBL30487516

SCHEMBL30487516

CC(C)(C)OC(=O)/C=C/c1cnc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
KMT2A Q03164 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
RAB9A P51151 3/20 0.64
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARA Q07869 1/20 0.48
CYP3A4 P08684 2/20 0.42
MGAM O43451 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42

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
SCHEMBL6070393 1.00 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070391 1.00 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL29733054 1.00 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070374 0.85 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070375 0.85 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL21001881 0.85 KDM4E (0.79) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL21040481 0.85 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL26750753 0.85 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL26750756 0.84 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL30628958 0.84 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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 (1 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2185/4885KMT2A 3748/4885SMN1; SMN2 2790/4885

“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.