SCHEMBL1071483

SCHEMBL1071483

C[Si](C)(CCONC=O)Cc1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GSK3A P49840 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ RIOK2 Q9BVS4 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MC4R P32245 2/20 0.35
▸ MC5R P33032 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ VDR P11473 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL1071481 0.82 CYP1A2 (0.38) CYP1A2CYP2A6GSK3AMAPK10RIOK2
SCHEMBL292209 0.77 CYP1A2 (0.41) CYP1A2CYP2A6GSK3AMAPK10RIOK2
SCHEMBL29669802 0.76 CYP1A2 (0.42) CYP1A2CYP2A6RAB9AGSK3AMAPK10
SCHEMBL292210 0.76 CYP1A2 (0.42) CYP1A2CYP2A6RAB9AGSK3AMAPK10
SCHEMBL18241077 0.69 CYP1A2 (0.52) CYP1A2CYP2A6FAAHMC4RMC5R
SCHEMBL27028324 0.64 CYP1A2 (0.53) CYP1A2CYP2A6GSK3AMAPK10RIOK2
SCHEMBL1999154 0.64 ADH1B (0.59) CYP1A2CYP2A6RAB9AMC4RMC5R
SCHEMBL29955760 0.62 CYP1A2 (0.56) CYP1A2CYP2A6RAB9AMC4RMC5R
SCHEMBL720558 0.62 CYP1A2 (0.56) CYP1A2CYP2A6RAB9AMC4RMC5R
SCHEMBL18270291 0.62 CYP1A2 (0.55) CYP1A2CYP2A6IDO1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304553-B2 Method of forming oseltamivir and derivatives thereof NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-11-06 — — US claimed
US-20110021762-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-01-27 — — US claimed

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-20110021762-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF AOC1, ALK, ALDH3A1 CYP1A2 122/4885CYP2A6 18/4885RAB9A 2469/4885

“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.

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