SCHEMBL187014

SCHEMBL187014

Oc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.50
PTGS2 P35354 1/20 0.50
ESR1 P03372 4/20 0.47
KIF11 P52732 1/20 0.46
APP P05067 1/20 0.43
CES2 O00748 3/20 0.43
PTGS1 P23219 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN5 P54829 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL104056 0.80 CA3 (0.52) NQO2MEN1KMT2AKDM4EKIF11
SCHEMBL26062348 0.80 MEN1 (0.46) NQO2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2839880 0.80 PDE2A (0.50) NQO2MEN1KMT2AKDM4EPTGS2
SCHEMBL863774 0.80 CES2 (0.55) NQO2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL2001354 0.80 CES2 (0.55) NQO2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31519450 0.80 ESR1 (0.56) NQO2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7947568 0.80 MEN1 (0.50) NQO2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL8908506 0.80 ESR1 (0.56) NQO2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL172788 0.80 ESR1 (0.64) NQO2TDP1MEN1KMT2APTGS2
SCHEMBL23974528 0.78 MEN1 (0.48) NQO2ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372918-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-09-05 CN disclosed
CN-114514232-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-17 CN disclosed
CN-114450815-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-06 CN disclosed
CN-114127979-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-03-01 CN disclosed
CN-113892194-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-01-04 CN disclosed
CN-113826234-A Organic electroluminescent element, compound, and electronic device 出光兴产株式会社 2021-12-21 CN disclosed
CN-110233206-B Organic electroluminescent element and electronic device 出光兴产株式会社 2021-07-30 CN disclosed
CN-113166118-A Organic electroluminescent element, compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2021-07-23 CN disclosed
CN-112136363-A Organic electroluminescent element, display device, and electronic device 出光兴产株式会社 2020-12-25 CN disclosed
CN-111868953-A Organic electroluminescent element and electronic device 出光兴产株式会社 2020-10-30 CN disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
CN-1759333-A Optical film and liquid crystal display element NIPPON OIL CORP (JP) 2006-04-12 CN disclosed
CN-1759334-A Optical film and liquid crystal display element NIPPON OIL CORP (JP) 2006-04-12 CN disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US disclosed
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1309531-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
WO-2002014250-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 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 (2 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-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 NQO2 134/4885ALDH1A1 1331/4885HPGD 1212/4885
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 NQO2 183/4885ALDH1A1 46/4885HPGD 544/4885

“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.