SCHEMBL1310099

SCHEMBL1310099

CC(C)(C)[Si](C)(C)OCc1cc([C@@H](O)CN)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.50
TDP1 Q9NUW8 5/20 0.50
ADRB2 P07550 4/20 0.50
NFKB1 P19838 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
RECQL P46063 3/20 0.50
APEX1 P27695 3/20 0.50
ADRB1 P08588 3/20 0.50
TAAR1 Q96RJ0 3/20 0.50
ADRB3 P13945 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ADRA1D P25100 2/20 0.50
MEN1 O00255 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL1310101 1.00 BLM (0.50) BLMTDP1ADRB2NFKB1KDM4E
SCHEMBL12185812 0.86 ADRB2 (0.54) BLMTDP1ADRB2NFKB1KDM4E
SCHEMBL5521929 0.84 NFKB1 (0.42) BLMTDP1ADRB2NFKB1KDM4E
SCHEMBL7150478 0.77 BLM (0.56) BLMTDP1ADRB2NFKB1KDM4E
SCHEMBL28530955 0.77 AMY1A (0.45) TDP1MAPTRECQLHPGDLMNA
SCHEMBL25437216 0.76 BACE1 (0.38)
SCHEMBL15912526 0.76 ALDH1A1 (0.40) BLMTDP1KDM4EMAPTRECQL
SCHEMBL5373425 0.76 MEN1 (0.49) BLMMAPTHPGDLMNAMAPK1
SCHEMBL15061878 0.75 BLM (0.65) BLMTDP1ADRB2NFKB1KDM4E
SCHEMBL7152531 0.73 ADRB2 (0.67) BLMTDP1ADRB2NFKB1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-01-17 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
WO-2011081937-A1 CORTICOSTEROID-BETA-AGONIST-MUSCARINIC ANTAGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2011-07-07 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 (4 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 BLM 213/4885TDP1 3985/4885ADRB2 16/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 BLM 395/4885TDP1 4191/4885ADRB2 13/4885
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 BLM 589/4885TDP1 2653/4885ADRB2 40/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 BLM 589/4885TDP1 2653/4885ADRB2 40/4885

“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.