SCHEMBL434941

SCHEMBL434941

COc1cccc2cc(C)c(=O)n(C)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
NQO2 P16083 5/20 0.56
BRPF1 P55201 6/20 0.49
BRD1 O95696 5/20 0.49
BRD4 O60885 2/20 0.49
BRPF3 Q9ULD4 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15241825 0.83 NQO2 (0.48) CYP19A1NQO2BRPF1BRD1BRD4
SCHEMBL18000352 0.80 NQO2 (0.50) CYP19A1NQO2BRPF1BRD1MAPT
SCHEMBL11467251 0.77 DAO (0.45) BRPF1BRD1BRD4MAPTMEN1
SCHEMBL98218 0.76 CYP19A1 (0.54) CYP19A1NQO2BRPF1BRD1BRD4
SCHEMBL31426151 0.74 NQO2 (0.53) CYP19A1NQO2BRPF1BRD1BRD4
SCHEMBL3747639 0.73 KDM4E (0.60) CYP19A1NQO2KDM4EALDH1A1HPGD
SCHEMBL1945262 0.73 CYP19A1 (0.50) CYP19A1NQO2MAPTMEN1KMT2A
SCHEMBL30211234 0.72 NQO2 (0.43) CYP19A1NQO2BRPF1BRD1MAPT
SCHEMBL17509827 0.72 NQO2 (1.00) CYP19A1NQO2MAPTMEN1KMT2A
SCHEMBL30899552 0.72 BCL6 (0.50) MEN1KMT2APOLBKDM4EALDH1A1

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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH CYP19A1 310/4885NQO2 1998/4885BRPF1 3381/4885

“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.