SCHEMBL5480835

SCHEMBL5480835

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.46
CYP26A1 O43174 3/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CYP27A1 Q02318 3/20 0.43
CYP19A1 P11511 1/20 0.43
MTNR1A P48039 8/20 0.43
SIGMAR1 Q99720 1/20 0.43
NQO2 P16083 7/20 0.42
MTNR1B P49286 7/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL12479755 0.75 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL12483925 0.75 KDM4E (0.42) CYP24A1CYP26A1LMNAGAACYP27A1
SCHEMBL5480832 0.73 LMNA (0.48) LMNAGAAMTNR1ASIGMAR1NQO2
SCHEMBL15724892 0.73 LMNA (0.50) LMNAGAACYP19A1MTNR1ASIGMAR1
SCHEMBL6787435 0.72 KDM4E (0.49) CYP24A1CYP26A1LMNAGAACYP27A1
SCHEMBL503654 0.72 SIGMAR1 (0.57) LMNAGAACYP19A1MTNR1ASIGMAR1
SCHEMBL10467454 0.71 KDM4E (0.48) CYP24A1CYP26A1LMNAGAACYP27A1
SCHEMBL12480312 0.70 ACHE (0.52) LMNAGAA
SCHEMBL6301799 0.69 CYP19A1 (0.53) CYP24A1LMNAGAACYP27A1CYP19A1
SCHEMBL10163625 0.69 LMNA (0.51) LMNAGAACYP19A1MTNR1ASIGMAR1

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 CYP24A1 2858/4885CYP26A1 213/4885LMNA 705/4885

“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.