SCHEMBL480039

SCHEMBL480039

CCOC(=O)Cc1ccc(CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
TBXAS1 P24557 1/20 0.45
LIPE Q05469 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL8785068 0.98 MAPT (0.54) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL68851 0.90 CYP4Z1 (0.62) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL11135790 0.89 CYP4Z1 (0.46) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL5725282 0.86 LOXL2 (0.49) CYP4Z1SMN1; SMN2LOXL2ALDH1A1MEN1
SCHEMBL10461745 0.85 CYP4F2 (0.53) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL85523 0.85 PPID (0.58) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
Hydrochloric Acid SCHEMBL5725276 0.84 LOXL2 (0.47) CYP4Z1MAPTSMN1; SMN2LOXL2ALDH1A1
SCHEMBL6057577 0.84 CYP4F2 (0.59) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL68930 0.84 CYP4Z1 (0.57) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2
SCHEMBL10299459 0.84 CYP4Z1 (0.57) CYP4Z1MAPTLMNASMN1; SMN2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
WO-2018229139-A1 NOVEL COMPOUNDS FOR USE IN CANCER FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-12-20 WO disclosed
CN-102348682-B 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2014-07-30 CN disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
CN-102348682-A 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2012-02-08 CN disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
CN-100371329-C Novel pyrimidine-4,6-dicarboxamides for the selective inhibition of collagenases AVENTIS PHARMA GMBH (DE) 2008-02-27 CN disclosed
CN-1835953-A 4-Cycloalkylaminopyrazolopyrimidine NMDA/NR2B antagonists MERCK & CO INC (US) 2006-09-20 CN disclosed
CN-1714083-A Novel pyrimidine-4,6-dicarboxamides for the selective inhibition of collagenases AVENTIS PHARMA GMBH (DE) 2005-12-28 CN disclosed
CN-1656091-A Tetrahydropyran derivatives YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 CN disclosed
CN-1620451-A Diphenylmethyl derivative FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-0237678-B1 TRYPTAMINE DERIVATIVES, THEIR SYNTHESIS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 1991-04-03 EP disclosed
US-4870096-A MIGRAINE GLAXO GROUP LIMITED (GB) 1989-09-26 US disclosed
EP-0237678-A1 Tryptamine derivatives, their synthesis and their use in pharmaceutical compositions GLAXO GROUP LIMITED (GB) 1987-09-23 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 CYP4Z1 451/4885MAPT 2644/4885LMNA 1995/4885

“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.