SCHEMBL892637

SCHEMBL892637

O=C1c2cc(Br)ccc2O[C@H]2CCC3(C[C@H]12)OCCO3

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
AR P10275 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
BCHE P06276 1/20 0.34
BACE1 P56817 8/20 0.31
APP P05067 6/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL9882345 1.00 PBRM1 (0.39) PBRM1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL9932454 0.91 PBRM1 (0.40) PBRM1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL891447 0.91 PBRM1 (0.40) PBRM1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL882871 0.91 PBRM1 (0.40) PBRM1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL892643 0.91 PBRM1 (0.40) PBRM1MEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL9932204 0.85 PBRM1 (0.34) PBRM1BACE1APP
SCHEMBL9932206 0.85 PBRM1 (0.34) PBRM1BACE1APP
SCHEMBL15287877 0.82 ADORA3 (0.36) CYP19A1SMN1; SMN2ARCYP3A4
SCHEMBL9931776 0.79 PBRM1 (0.35) PBRM1SMN1; SMN2ARBCHEBACE1
SCHEMBL9931775 0.79 PBRM1 (0.35) PBRM1SMN1; SMN2ARBCHEBACE1

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 2 patents. 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
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 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 (2 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
US-20120083501-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.