SCHEMBL5480832

SCHEMBL5480832

COc1ccc2c(c1)C(OC(=O)C(C)(C)C)CCC2=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 8/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MTNR1B P49286 8/20 0.37
NQO2 P16083 6/20 0.37
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL19635311 0.85 PTGDR2 (0.34) LMNAGAASMN1; SMN2PTGDR2ATM
SCHEMBL5477645 0.84 MAPT (0.40) LMNAGAASMN1; SMN2MTNR1AMTNR1B
SCHEMBL5477650 0.84 MAPT (0.40) LMNAGAASMN1; SMN2MTNR1AMTNR1B
SCHEMBL5485146 0.84 MEN1 (0.37) PTGDR2
SCHEMBL5482888 0.84 KMT2A (0.36) LMNAGAAHTTSMN1; SMN2PTGDR2
SCHEMBL19635324 0.81 PTGDR2 (0.38) LMNAGAAPTGDR2
SCHEMBL10467454 0.81 KDM4E (0.48) LMNAGAAKDM4EHTTALDH1A1
SCHEMBL29602500 0.80 ALDH1A1 (0.39) LMNAKDM4EHTTALDH1A1
SCHEMBL19615288 0.75 CYP11B1 (0.31)
SCHEMBL6787435 0.74 KDM4E (0.49) LMNAGAAKDM4EHTTALDH1A1

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-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 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-20070185323-A1 Method of preparing benzazepines and derivatives thereof CYP2F1, MAOB, CYP1A2 LMNA 705/4885GAA 2016/4885KDM4E 1018/4885

“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.