SCHEMBL935957

SCHEMBL935957

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.79
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
SRD5A2 P31213 1/20 0.56
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.53
P2RX1 P51575 1/20 0.53
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
MAOB P27338 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
MAPT P10636 1/20 0.50
CES1 P23141 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
SCHEMBL3176325 0.88 CES2 (1.00) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL39834 0.85 CES2 (0.71) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL30093723 0.85 CES2 (0.71) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL11372246 0.84 CES2 (0.71) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL11372244 0.84 CES2 (0.71) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL4848676 0.83 CES2 (0.89) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL4171698 0.83 CES2 (0.81) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL29923199 0.83 CES2 (0.81) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL19710741 0.82 CES2 (0.62) CES2MEN1KMT2ANPSR1SRD5A2
SCHEMBL18371866 0.82 CES2 (0.79) CES2MEN1KMT2ANPSR1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN claimed
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN disclosed
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 EP disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-8592459-B2 Substituted benzimidazoles and methods of their use NOVARTIS AG (CH) 2013-11-26 US disclosed
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 US disclosed
US-7732465-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-08 US disclosed
US-20090170904-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2009-07-02 US disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed
WO-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 US disclosed
US-7482367-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-01-27 US disclosed
US-20080287682-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2008-11-20 US disclosed
US-20070161680-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2007-07-12 US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 US disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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 (7 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-20070049622-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT CES2 1452/4885MEN1 1855/4885KMT2A 1063/4885
US-20070161680-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 CES2 2911/4885MEN1 2903/4885KMT2A 860/4885
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PRMT1, NNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CES2 1829/4885MEN1 321/4885KMT2A 1650/4885
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 CES2 4836/4885MEN1 3564/4885KMT2A 3156/4885
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor HRH4, HRH3, HRH1 CES2 3530/4885MEN1 2415/4885KMT2A 580/4885
US-20090170904-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 CES2 2911/4885MEN1 2903/4885KMT2A 860/4885
US-20080287682-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT CES2 1452/4885MEN1 1855/4885KMT2A 1063/4885

“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.