SCHEMBL502775

SCHEMBL502775

C[C@H](OCC(O)CO[Si](C)(C)C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASR P41180 4/20 0.35
MAPT P10636 1/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPK1 P28482 2/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AOC3 Q16853 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
SCHEMBL502774 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL502893 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL503097 0.84 TACR1 (0.33) AOC3
SCHEMBL503484 0.84 TACR1 (0.33) AOC3
SCHEMBL1154910 0.80 AOC3 (0.42) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL1833345 0.77 ADRB2 (0.36) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL1842362 0.77 ADRB2 (0.36) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL502851 0.76 KDM4E (0.40) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL574797 0.76 KDM4E (0.40) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL502850 0.76 KDM4E (0.40) ADRB2ADRB1ADRB3MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R ADRB2 49/4885ADRB1 18/4885ADRB3 52/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R ADRB2 49/4885ADRB1 18/4885ADRB3 52/4885

“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.