SCHEMBL13616947

SCHEMBL13616947

COc1cc(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
CALM1 P0DP23 1/20 0.49
PTPN1 P18031 2/20 0.49
ALOX5 P09917 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
OR51E2 Q9H255 1/20 0.46
NOS2 P35228 1/20 0.45
MET P08581 1/20 0.45
FOS P01100 1/20 0.43

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
SCHEMBL12349734 0.95 TAAR1 (0.56) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL12349745 0.93 ALOX5 (0.56) ALOX5
SCHEMBL13616943 0.93 MTNR1A (0.46) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL12349730 0.88 MTNR1A (0.49) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL12349742 0.88 ALOX5 (0.57) ALOX5
SCHEMBL25623777 0.87 ALOX15 (0.50) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL22402229 0.86 TAAR1 (0.59) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL13722462 0.84 TAAR1 (0.56) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL13492499 0.84 TAAR1 (0.56) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL2578018 0.82 ATM (0.51) CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090276042-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2009-11-05 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 (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-20090276042-A1 Biological Polysiloxanes PBK, B2M, CD79B TAAR1 3041/4885TSHR 1780/4885MAPK1 3636/4885

“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.