SCHEMBL9931351

SCHEMBL9931351

C[C@]12COCC[C@@H]1C(=O)c1cc(Br)ccc1O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.38
CYP19A1 P11511 1/20 0.38
BACE1 P56817 6/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
BCHE P06276 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.33
CTSD P07339 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8532278 0.85 BACE1 (0.33) PBRM1BACE1BACE2MAPTLMNA
SCHEMBL9882535 0.80 CYP19A1 (0.40) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL8532112 0.80 CYP19A1 (0.40) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL8532115 0.80 CYP19A1 (0.40) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL9882483 0.75 PBRM1 (0.40) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL8515666 0.75 PBRM1 (0.40) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL9932407 0.74 PBRM1 (0.36) PBRM1CYP19A1MEN1KMT2AMALT1
SCHEMBL12489864 0.72 PBRM1 (0.38) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL12489867 0.72 PBRM1 (0.38) PBRM1CYP19A1BACE1MEN1KMT2A
SCHEMBL8536924 0.71 ENTPD5 (0.34) PBRM1BACE1BACE2HIF1AMAPT

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PBRM1 3853/4885CYP19A1 2497/4885BACE1 1/4885

“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.