SCHEMBL5871100

SCHEMBL5871100

C=Cc1cccc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 1/20 0.35
IDO1 P14902 10/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AGXT P21549 6/20 0.32
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
SQLE Q14534 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
SCHEMBL4332449 0.85 MAOA (0.47) TDP1BACE1IDO1MAOAMAOB
SCHEMBL20298754 0.84 LCK (0.44) TP53BACE1IDO1MAOAMAOB
SCHEMBL8348643 0.81 ALDH1A1 (0.38) TP53BACE1ALDH1A1TSHR
SCHEMBL8024700 0.80 TP53 (0.36) TP53TDP1MAOAMAOBFAAH
Alcohol SCHEMBL9337072 0.80 MAOA (0.43) TDP1BACE1MAOAMAOBALDH1A1
SCHEMBL9626381 0.80 BACE1 (0.35) BACE1IDO1MAOAMAOBALDH1A1
SCHEMBL16537338 0.80 TDP1 (0.41) TP53TDP1IDO1MAOAMAOB
SCHEMBL16538035 0.80 TDP1 (0.41) TP53TDP1IDO1MAOAMAOB
SCHEMBL27544251 0.80 IDO1 (0.36) BACE1IDO1AGXTCYP3A4
SCHEMBL8344755 0.79 BACE1 (0.34) BACE1IDO1MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206313-B Star polymer and process for production thereof NIPPON SODA CO 2013-06-05 CN disclosed
CN-101258184-B Star polymer and process for producing the same NIPPON SODA CO 2012-05-23 CN disclosed
CN-102206313-A Star polymer and process for production thereof NIPPON SODA CO 2011-10-05 CN disclosed
CN-101258184-A Star polymer and process for producing the same NIPPON SODA CO (JP) 2008-09-03 CN disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 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-20020019531-A1 Indoles INMT, MUSK, MB TP53 4701/4885TDP1 353/4885BACE1 4259/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 TP53 4756/4885TDP1 482/4885BACE1 3717/4885

“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.