SCHEMBL6523913

SCHEMBL6523913

CCCCNCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.35
DUT P33316 1/20 0.35
KDM4E B2RXH2 2/20 0.31
PTPN1 P18031 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 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
SCHEMBL17520284 0.94 TSHR (0.43) TSHRALDH1A1KMT2ADUTADH1B
SCHEMBL1238255 0.92 DUT (0.35) TSHRALDH1A1KMT2ADUTHRH4
SCHEMBL31283347 0.92 DUT (0.38) DUT
SCHEMBL24387070 0.85 CA12 (0.41) TSHRALDH1A1KMT2ADUTKDM4E
SCHEMBL1317211 0.83 ADRB2 (0.42) TSHRALDH1A1DUTCYP2C19
SCHEMBL31024461 0.83 CA12 (0.43) TSHRKMT2ADUTMEN1CYP2C19
SCHEMBL5745136 0.82 TSHR (0.39) TSHRALDH1A1ADH1BADH1CADH1A
Ammonia Solution, Strong SCHEMBL6287147 0.81 ADRB2 (0.40) TSHRALDH1A1DUTCYP2C19
SCHEMBL622169 0.81 DUT (0.39) TSHRALDH1A1KMT2ADUTMEN1
SCHEMBL19543533 0.80 DUT (0.35) TSHRALDH1A1DUTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TSHR 1318/4885ALDH1A1 264/4885KMT2A 2392/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TSHR 1318/4885ALDH1A1 264/4885KMT2A 2392/4885

“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.