SCHEMBL8539054

SCHEMBL8539054

C[C@]12COCC(=O)[C@@H]1Cc1cc(Br)ccc1O2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
ADRA2A P08913 3/20 0.32
PNMT P11086 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
HIF1A Q16665 2/20 0.31
EPAS1 Q99814 1/20 0.31
BRD4 O60885 1/20 0.31
BACE1 P56817 2/20 0.31
ENTPD5 O75356 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
FAAH O00519 1/20 0.30
METAP1 P53582 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL8536620 0.85 ADRA2A (0.32) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL8513011 0.76 ALDH1A1 (0.39)
SCHEMBL8513012 0.76 ALDH1A1 (0.39)
SCHEMBL8513008 0.76 ALDH1A1 (0.39)
SCHEMBL8536924 0.74 ENTPD5 (0.34) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL9931351 0.69 PBRM1 (0.38) PBRM1HIF1ABACE1CTSD
SCHEMBL9633675 0.67 HIF1A (0.52) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL27410273 0.64 KDM4E (0.44) PBRM1BRD4BACE1METAP1CTSD
SCHEMBL8532278 0.64 BACE1 (0.33) PBRM1BACE1
SCHEMBL828814 0.64 FAAH (0.39) PBRM1ADRA2APNMTADRA2BADRA2C

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
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PBRM1 3853/4885ADRA2A 3254/4885PNMT 1564/4885

“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.