SCHEMBL608510

SCHEMBL608510

O=C(c1cc[c]cc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.60
MLYCD O95822 11/20 0.46
TRPV1 Q8NER1 1/20 0.42
ACHE P22303 2/20 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
SCHEMBL28130460 0.98 CES1 (0.58) CES1MLYCDTRPV1ACHE
Zinc Chloride SCHEMBL28130545 0.92 CES1 (0.52) CES1MLYCDTRPV1ACHE
SCHEMBL6609486 0.87 CES1 (0.52) CES1MLYCDTRPV1
SCHEMBL4167044 0.82 CES1 (0.40) CES1MLYCD
SCHEMBL27390852 0.80 CES1 (0.36) CES1
SCHEMBL27729592 0.77 CES1 (0.35) CES1MLYCDACHE
SCHEMBL7189485 0.76 PGR (0.41) CES1MLYCD
SCHEMBL10665081 0.76 ALDH1A1 (0.33) CES1
SCHEMBL13008532 0.76 CES1 (0.48) CES1MLYCDTRPV1ACHE
SCHEMBL33083 0.75 CES1 (1.00) CES1MLYCDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US claimed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP claimed
EP-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP claimed
CN-104650851-A Red phosphorescent iridium complex and preparation method thereof, and organic electroluminescence device OCEANS KING LIGHTING SCIENCE 2015-05-27 CN claimed
CN-104650150-A Red phosphorescent iridium complex and preparation method thereof, and organic electroluminescence device OCEANS KING LIGHTING SCIENCE 2015-05-27 CN claimed
EP-2803658-A1 Phosphinate ruthenium complexes IDENIX Pharmaceuticals, Inc. (US) 2014-11-19 EP claimed
US-8765966-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2014-07-01 US claimed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO claimed
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS LLC 2013-10-10 US claimed
US-8481748-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2013-07-09 US claimed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed
US-6177417-B1 HOST MATERIAL FOR ION SENSORS Pyun, Hyung Jung (KR) 2001-01-23 US claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed

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-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CES1 3335/4885MLYCD 589/4885TRPV1 4780/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CES1 1862/4885MLYCD 3871/4885TRPV1 3190/4885

“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.