SCHEMBL2099154

SCHEMBL2099154

CCC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6812401 0.87 STS (0.53) SMN1; SMN2NPC1MAPTHPGDL3MBTL1
SCHEMBL2099644 0.85 GSK3B (0.59) NPC1
SCHEMBL6808336 0.82 NPC1 (0.41) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL5888776 0.82 GSK3B (0.40) NPC1MAPTL3MBTL1KMT2AMEN1
SCHEMBL2099655 0.80 MAPT (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2163425 0.80 KMT2A (0.58) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3096964 0.80 CA12 (0.54) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL2103554 0.80 STS (0.54) RAB9ANPC1MAPTL3MBTL1KMT2A
SCHEMBL8709906 0.80 GSK3B (0.38) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL6307030 0.79 KMT2A (0.39) SMN1; SMN2RAB9AALDH1A1MAPTKDM4E

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
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
US-5710168-A 2-piperidino-1-alkanol derivatives as neuroprotective agents PFIZER INC. (US) 1998-01-20 US disclosed
US-5527912-A USEFUL INTREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1996-06-18 US disclosed
US-5391742-A Intermediates for 2-piperidino-1-alkanols PFIZER INC. (US) 1995-02-21 US disclosed
US-5338754-A 2-pyrrolidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1994-08-16 US disclosed
US-5272160-A 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1993-12-21 US disclosed
US-5185343-A NORTROPYL-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1993-02-09 US disclosed
WO-1990014087-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
WO-1990014088-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
CN-1047291-A The 2-of anti-ischaemic agent croak pyridine subbase-1-alkanol derivatives PFIZER (US) 1990-11-28 CN disclosed
EP-0398578-A2 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC. (US) 1990-11-22 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 (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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 ABCB1 1907/4885SMN1; SMN2 3660/4885RAB9A 3100/4885

“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.