SCHEMBL699016

SCHEMBL699016

OCc1cc(-c2ccccc2)co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
CTRC Q99895 1/20 0.45
DAO P14920 5/20 0.44
KDM4E B2RXH2 2/20 0.44
TYR P14679 1/20 0.44
IDH1 O75874 1/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
TDO2 P48775 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL250008 0.79 NOTUM (0.47) NOTUMCTRCKDM4EALDH1A1CYP2C19
SCHEMBL13439957 0.79 CTRC (0.41) CTRCKDM4EIDH1ALDH1A1MAPT
SCHEMBL3569466 0.77 DAO (0.56) NOTUMDAOKDM4ETYRIDH1
SCHEMBL5541247 0.76 CTRC (0.38) NOTUMCTRCDAOKDM4EIDH1
SCHEMBL23330460 0.73 MAOB (0.46) DAOKDM4ETYRALDH1A1MEN1
SCHEMBL25706168 0.70 CHRM2 (0.51) NOTUMCTRCBACE1ALDH1A1KMT2A
SCHEMBL674221 0.69 CHRM2 (0.50) NOTUMCTRCALDH1A1MEN1KMT2A
Biphenyl SCHEMBL23270852 0.68 ALDH1A1 (0.69) NOTUMBACE1ALDH1A1MAPTCYP1A2
SCHEMBL5543007 0.67 CTRC (0.45) CTRCKDM4EALDH1A1MEN1KMT2A
SCHEMBL901473 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9958776-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-01 US disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 EP disclosed
EP-1369490-A1 Method of preparing a composition containing hygromycin A and epi-hygromycin Pfizer Products Inc. (US) 2003-12-10 EP disclosed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US disclosed
EP-1075483-A2 HYGROMYCIN A DERIVATIVES Pfizer Products Inc. (US) 2001-02-14 EP disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NOTUM 3799/4885CTRC 535/4885DAO 856/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NOTUM 3799/4885CTRC 535/4885DAO 856/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NOTUM 3799/4885CTRC 535/4885DAO 856/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NOTUM 3799/4885CTRC 535/4885DAO 856/4885

“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.