SCHEMBL3176325

SCHEMBL3176325

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 1.00
SRD5A2 P31213 1/20 0.62
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
P2RX1 P51575 1/20 0.59
POLB P06746 2/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.56
CES1 P23141 2/20 0.56
MAOB P27338 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNK3 O14649 1/20 0.56
PTGS1 P23219 1/20 0.54

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
SCHEMBL4848676 0.94 CES2 (0.89) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL4171698 0.90 CES2 (0.81) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL29923199 0.90 CES2 (0.81) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL18371866 0.89 CES2 (0.79) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL11725067 0.88 CES2 (0.79) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL935957 0.88 CES2 (0.79) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL4030893 0.88 CES2 (0.77) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL1237189 0.87 SRD5A2 (0.79) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL10998742 0.85 CES2 (0.73) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL350153 0.85 CES2 (0.74) CES2SRD5A2LMNANPSR1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748594-B2 Polymer of fluorine-containing sulfonated poly(arylene ether)s and method of manufacturing the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2017-08-29 US disclosed
US-9644069-B2 Polymer of fluorine-containing sulfonated poly(arylene ether)s and method of manufacturing the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2017-05-09 US disclosed
US-20170009016-A1 POLYMER OF FLUORINE-CONTAINING SULFONATED POLY(ARYLENE ETHER)S AND METHOD OF MANUFACTURING THE SAME NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2017-01-12 US disclosed
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CES2 337/4885SRD5A2 378/4885LMNA 2031/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CES2 470/4885SRD5A2 1061/4885LMNA 2004/4885

“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.