SCHEMBL8515544

SCHEMBL8515544

COCOc1ccc(Br)cc1CC=C(C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP19A1 P11511 2/20 0.35
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
BTN3A1 O00481 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 1/20 0.32
CCR5 P51681 1/20 0.32
NPY1R P25929 1/20 0.31
NPY2R P49146 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
SCHEMBL8515543 1.00 KMT2A (0.37) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL8512148 0.80 LMNA (0.40) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL8512153 0.80 LMNA (0.40) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL8513968 0.77 HPGD (0.39) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL9932317 0.77 HPGD (0.39) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL4014116 0.70 CYP3A4 (0.42) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL8712221 0.68 PTGDR2 (0.59) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL30152364 0.68 PTGDR2 (0.59) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL4337045 0.67 KDM4E (0.43) KMT2AMEN1HTTGAAKDM4E
SCHEMBL5569933 0.67 PTGDR2 (0.45) KMT2AMEN1HTTCYP3A4CYP2D6

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 KMT2A 4037/4885MEN1 3061/4885HTT 30/4885

“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.