SCHEMBL9932356

SCHEMBL9932356

C[C@H]1OCC[C@H]2Oc3ccc(Br)cc3C(=O)[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.48
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
BACE1 P56817 6/20 0.37
CTSD P07339 2/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.34
BCHE P06276 1/20 0.33
APP P05067 3/20 0.33

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
SCHEMBL10237762 1.00 PBRM1 (0.48) PBRM1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL9932355 1.00 PBRM1 (0.48) PBRM1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL10279619 1.00 PBRM1 (0.48) PBRM1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL9882485 1.00 PBRM1 (0.48) PBRM1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL9882486 0.84 PBRM1 (0.42) PBRM1MEN1KMT2ABACE1CTSD
SCHEMBL9931915 0.84 PBRM1 (0.42) PBRM1MEN1KMT2ABACE1CTSD
SCHEMBL9931914 0.84 PBRM1 (0.42) PBRM1MEN1KMT2ABACE1CTSD
SCHEMBL10279618 0.84 PBRM1 (0.42) PBRM1MEN1KMT2ABACE1CTSD
SCHEMBL10237761 0.84 PBRM1 (0.42) PBRM1MEN1KMT2ABACE1CTSD
SCHEMBL10237763 0.79 PBRM1 (0.51) PBRM1MEN1KMT2ACYP19A1CYP3A4

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 3853/4885MEN1 3061/4885KMT2A 4037/4885

“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.