SCHEMBL5871216

SCHEMBL5871216

C[SiH](C)OC(Cc1ccc(CCO)cc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
CA2 P00918 2/20 0.37
PTGS2 P35354 1/20 0.37
ACACB O00763 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9813450 0.86 CYP4F2 (0.38) PPARACYP4F2CYP4A11CA2PTGS2
SCHEMBL1627502 0.84 PPARA (0.38) PPARACYP4F2CYP4A11CA2PTGS2
SCHEMBL5872189 0.84 MEN1 (0.39) TDP1CYP24A1
SCHEMBL5871994 0.80 MME (0.37) PPARAACACB
SCHEMBL9701765 0.80 TRPA1 (0.30) TSHRTRPA1ALDH1A1
SCHEMBL9185293 0.80 TRPA1 (0.40) TRPA1
SCHEMBL9602863 0.77 CYP3A4 (0.40) ALDH1A1
SCHEMBL8545986 0.76 CYP2A6 (0.42) TSHRALDH1A1ALOX5
SCHEMBL8807198 0.76 ALDH1A1 (0.36) TSHRALDH1A1MAPTCYP24A1
SCHEMBL3412311 0.76 ALDH1A1 (0.44) PPARACYP4F2CYP4A11ALDH1A1

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
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

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 PPARA 4347/4885CYP4F2 4061/4885CYP4A11 2712/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PPARA 4267/4885CYP4F2 2826/4885CYP4A11 2763/4885

“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.