SCHEMBL5176388

SCHEMBL5176388

C[Si](C)(C1C=Cc2ccc3ccccc3c21)C1C=Cc2ccc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2A6 P11509 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPRT1 P00492 1/20 0.34
CES1 P23141 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL12537716 0.77 ALDH1A1 (0.41) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL637370 0.74 KDM4E (0.38) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL30138720 0.74 KDM4E (0.38) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL637369 0.74 KDM4E (0.38) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL637368 0.74 KDM4E (0.38) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL28632731 0.73 ALDH1A1 (0.41) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL28892106 0.73 ALDH1A1 (0.41) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL8468654 0.72 ALDH1A1 (0.37) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL2356550 0.71 ALDH1A1 (0.39) CYP1A2TAAR1CYP2C19CYP2A6TSHR
SCHEMBL13177041 0.71 KDM4E (0.36) CYP1A2TAAR1CYP2C19CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787971-A2 Process for preparing aryl allyl ethers Dow Gloval Technologies Inc. (US) 2007-05-23 EP disclosed
EP-1546078-A1 PROCESS FOR PREPARING ARYL ALLYL ETHERS Dow Global Technologies Inc. (US) 2005-06-29 EP disclosed
US-20050033094-A1 Process for preparing aryl allyl ethers BORIACK CLINTON J (US) 2005-02-10 US disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
WO-2004013076-A1 PROCESS FOR PREPARING ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-02-12 WO disclosed
US-20040024263-A1 Process for preparing aryl allyl ethers BORIACK CLINTON J (US) 2004-02-05 US disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN 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-20040024263-A1 Process for preparing aryl allyl ethers PICALM, AP2M1, AP1M1 CYP1A2 212/4885TAAR1 975/4885CYP2C19 663/4885
US-20050033094-A1 Process for preparing aryl allyl ethers PICALM, AP2M1, AP1M1 CYP1A2 212/4885TAAR1 975/4885CYP2C19 663/4885

“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.