SCHEMBL4153301

SCHEMBL4153301

CCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.33
KMT2A Q03164 7/20 0.33
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 6/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 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
SCHEMBL16445833 0.94 SMN1; SMN2 (0.35) POLBKDM4EMAPK1KMT2AALDH1A1
SCHEMBL2473117 0.84 OPRM1 (0.36) POLBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL23390475 0.81 SMN1; SMN2 (0.36) POLBKMT2AALDH1A1MEN1L3MBTL1
Trifluoroacetic Acid SCHEMBL23390509 0.80 POLB (0.31) POLBOPRM1
SCHEMBL4139636 0.80 PPM1D (0.32)
SCHEMBL23390508 0.78 TP53 (0.31)
SCHEMBL16900591 0.77 MAPK1 (0.41) POLBKDM4EMAPK1KMT2AALDH1A1
SCHEMBL2467507 0.77 KDM4E (0.36) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL20713831 0.76 CYP3A4 (0.34)
SCHEMBL30819825 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 US disclosed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 WO 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 (3 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B POLB 2798/4885KDM4E 2622/4885MAPK1 7/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885KDM4E 2795/4885MAPK1 6/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 POLB 4804/4885KDM4E 3462/4885MAPK1 643/4885

“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.