SCHEMBL1933397

SCHEMBL1933397

OC1CC(c2ccccc2)Oc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.44
AR P10275 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL7048656 0.84 CYP19A1 (0.60) CYP19A1ARMEN1KMT2AMAOA
SCHEMBL1933778 0.84 CYP19A1 (0.60) CYP19A1ARMEN1KMT2AMAOA
SCHEMBL380283 0.81 CYP19A1 (0.45) CYP19A1ARMAOAMAOB
SCHEMBL1267388 0.81 CYP19A1 (0.45) CYP19A1ARMAOAMAOB
SCHEMBL30064231 0.81 CYP19A1 (0.45) CYP19A1ARMAOAMAOB
SCHEMBL1933050 0.79 AR (0.34) ARALDH1A1
SCHEMBL4370738 0.75 FFAR1 (0.42) CYP19A1ARFFAR1
SCHEMBL23980837 0.75 CYP19A1 (0.45) CYP19A1ARALDH1A1HPGDMAOA
SCHEMBL4365834 0.75 AR (0.54) CYP19A1ARMEN1KMT2AALDH1A1
SCHEMBL19590742 0.74 MAOB (0.39) CYP19A1ARMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
CN-102712648-A Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG 2012-10-03 CN disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 WO 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI CYP19A1 51/4885AR 363/4885MEN1 2253/4885

“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.