SCHEMBL1712437

SCHEMBL1712437

O=C(CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.67
SRD5A2 P31213 1/20 0.56
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ACHE P22303 1/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
P2RX1 P51575 1/20 0.53
HPGD P15428 1/20 0.51
KMT2A Q03164 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL30758861 0.87 CES2 (0.69) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2073691 0.85 ACHE (0.72) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL1746116 0.84 CES2 (0.56) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL31016229 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL311526 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL716488 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL40175 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL10274701 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2379125 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL29742875 0.84 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812014-B The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof DOMAIN THERAPEUTICS (FR) 2016-01-20 CN disclosed
EP-2344460-B1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS INC (US) 2015-08-12 EP disclosed
US-8383608-B2 Imidazolidine compounds as androgen receptor modulators DART THERAPEUTICS LLC 2013-02-26 US disclosed
US-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2344460-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Galapagos N.V. (BE) 2011-07-20 EP disclosed
US-7968581-B2 Imidazolidine compounds as androgen receptor modulators GALAPAGOS NV (BE) 2011-06-28 US disclosed
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2010-05-06 US disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 WO 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
US-6608217-B2 Process for producing 4-substituted benzopyran derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2003-08-19 US disclosed
US-20030109574-A1 Process for producing 4-substituted benzopyran derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2003-06-12 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
EP-1298129-A2 Process for producing 4-sustituted benzopyran derivatives Central Glass Company, Limited (JP) 2003-04-02 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-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (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-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR CES2 4532/4885SRD5A2 126/4885CTNNB1 4438/4885
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 CES2 186/4885SRD5A2 190/4885CTNNB1 3152/4885
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR CES2 4460/4885SRD5A2 115/4885CTNNB1 4498/4885
US-20030109574-A1 Process for producing 4-substituted benzopyran derivatives ACSL4, HAO2, ACSL6 CES2 2045/4885SRD5A2 424/4885CTNNB1 4221/4885

“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.