SCHEMBL4606148

SCHEMBL4606148

NC(=O)C=Cc1ccc(OC(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.50
ALOX15 P16050 1/20 0.49
GFER P55789 1/20 0.49
ADAM17 P78536 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL4606144 1.00 DRD1 (0.50) DRD1ALOX15GFERADAM17NPC1
SCHEMBL11443825 0.86 F3 (0.59) DRD1ALOX15GFERADAM17NPC1
SCHEMBL11443826 0.86 F3 (0.59) DRD1ALOX15GFERADAM17NPC1
SCHEMBL1569059 0.84 THRB (0.61) DRD1ALOX15GFERADAM17NPC1
SCHEMBL1569061 0.84 THRB (0.61) DRD1ALOX15GFERADAM17NPC1
SCHEMBL2224712 0.83 PARP10 (0.56) NPC1GAAKMT2AGLASMN1; SMN2
SCHEMBL9576259 0.79 PTGES2 (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9576257 0.79 PTGES2 (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1450230 0.79 F3 (0.52) MAPTALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL2009524 0.77 F3 (0.72) NPC1MAPTMEN1KMT2AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP claimed
US-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1761525-B1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
US-7205325-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1761525-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
US-7005526-B2 Thioether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-28 US disclosed
WO-2005116019-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 WO disclosed
US-20050267179-A1 NOVEL THIOETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-01 US disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 US disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040209933-A1 Oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 US disclosed
WO-2004085434-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
EP-0568731-A1 Methods and compositions containing pesticides and stilbene compounds for enhanced pesticidal activity AMERICAN CYANAMID COMPANY (US) 1993-11-10 EP disclosed
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 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 (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-20040209933-A1 Oxazole derivatives OXA1L, SULT1E1, CYP3A7 DRD1 3985/4885ALOX15 1629/4885GFER 3794/4885
US-20050267179-A1 NOVEL THIOETHER DERIVATIVES TPMT, TST, SULT1E1 DRD1 2262/4885ALOX15 1281/4885GFER 943/4885
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 DRD1 2165/4885ALOX15 3719/4885GFER 3471/4885
US-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 DRD1 3287/4885ALOX15 653/4885GFER 3125/4885

“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.