SCHEMBL5804362

SCHEMBL5804362

CN(C)Cc1cc(F)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
POLB P06746 2/20 0.68
MAPT P10636 2/20 0.68
THRB P10828 2/20 0.68
KMT2A Q03164 2/20 0.68
HKDC1 Q2TB90 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
GAA P10253 1/20 0.68
G6PD P11413 1/20 0.68
PABPC1 P11940 1/20 0.68
SLC6A4 P31645 8/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A3 Q01959 4/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APEX1 P27695 1/20 0.42

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
SCHEMBL6128132 0.88 KDM4E (0.61) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL11127980 0.82 ALDH1A1 (1.00) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL10177661 0.81 SLC6A4 (0.53) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL21494243 0.80 RIPK1 (0.50) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL13262507 0.79 SLC6A4 (0.59) ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL364672 0.78 ESR1 (0.53) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29707885 0.78 ALDH1A1 (0.67) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL11792241 0.78 ALDH1A1 (0.67) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL6450413 0.78 ALDH1A1 (0.74) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL1616373 0.78 HIF1A (0.54) MEN1MAPTKMT2ACYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903239-B2 Fluorinated benzaldehydes BAYER CHEMICAL AKTIENGESELLSCHAFT (DE) 2005-06-07 US claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
US-20040133043-A1 Fluorinated benzaldehydes LANXESS DEUTSCHLAND GMBH (DE) 2004-07-08 US claimed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP claimed
EP-1428814-A1 Fluorine containing benzaldehydes Bayer Chemicals AG (DE) 2004-06-16 EP claimed
US-4378231-A Motor fuel PHILLIPS PETROLEUM COMPANY (US) 1983-03-29 US claimed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 US disclosed
EP-2925751-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086704-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2006076020-A2 FUEL COMPOSITIONS AND METHODS THEREOF FERNANDES JOSEPH B (US) 2006-07-20 WO disclosed
US-20050229479-A1 Fuel compositions and methods thereof ETANE USA, L.L.C. 2005-10-20 US disclosed
US-6903239-B2 Fluorinated benzaldehydes BAYER CHEMICAL AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
EP-1428814-A1 Fluorine containing benzaldehydes Bayer Chemicals AG (DE) 2004-06-16 EP disclosed
EP-0750607-B1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1999-05-06 EP disclosed
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed
EP-0750607-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY Knoll AG (DE) 1997-01-02 EP disclosed
WO-1995023127-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1995-08-31 WO disclosed
US-5118325-A Internal combustion engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-06-02 US disclosed
US-4378231-A Motor fuel PHILLIPS PETROLEUM COMPANY (US) 1983-03-29 US 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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A KDM4E 797/4885MEN1 4469/4885ALDH1A1 245/4885
US-20040133043-A1 Fluorinated benzaldehydes PFAS, FIP1L1, AFF2 KDM4E 1421/4885MEN1 1248/4885ALDH1A1 25/4885
US-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 KDM4E 585/4885MEN1 2249/4885ALDH1A1 1595/4885

“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.