SCHEMBL711848

SCHEMBL711848

O=C(CF)C(F)(F)C(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.50
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
HTR7 P34969 1/20 0.38
LTA4H P09960 1/20 0.37
KMT2A Q03164 1/20 0.37
MLYCD O95822 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TNFRSF1A P19438 1/20 0.35

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
SCHEMBL584064 0.83 CES2 (0.43) CES1CES2RAB9ACA2CA1
SCHEMBL583454 0.83 CES1 (0.43) CES1CES2CA2CA1MLYCD
SCHEMBL9770781 0.83 CA2 (0.55) CES1CES2PTPN1NPC1RAB9A
SCHEMBL583437 0.82 CES1 (0.57) CES1CES2PTPN1NPC1RAB9A
SCHEMBL9655468 0.81 CES1 (0.55) CES1CES2PTPN1NPC1RAB9A
SCHEMBL9565947 0.81 CES1 (0.55) CES1CES2PTPN1NPC1RAB9A
SCHEMBL9630805 0.81 CES1 (0.55) CES1CES2PTPN1NPC1RAB9A
SCHEMBL9770874 0.80 ALDH1A1 (0.48) NPC1RAB9AMLYCD
SCHEMBL9770760 0.80 CES1 (0.46) CES1PTPN1NPC1RAB9A
SCHEMBL2851867 0.79 PLOD2 (0.51) PLOD2LTA4HKMT2AMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5316909-A Quantitative analysis WALLAC OY (FI) 1994-05-31 US claimed
WO-1992016840-A1 LANTHANID FLUORESCENCE ASSAY OY DATACITY CENTER AB (FI) 1992-10-01 WO claimed
US-4857475-A Labelled and labellable reagents for fluorometric assays Ekins, Roger Philip (GB) 1989-08-15 US claimed
CN-108085490-B Extraction composition and method for enriching lithium 青海恒信融锂业科技有限公司 2020-04-28 CN disclosed
EP-3168848-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF FUJIFILM CORP (JP) 2019-05-22 EP disclosed
EP-3168848-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF Fujifilm Corporation (JP) 2017-05-17 EP disclosed
US-20170117100-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-9017962-B2 Intracellular reporters THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-28 US disclosed
EP-1943262-B1 IRE-1 ALPHA SUBSTRATES MANNKIND CORP (US) 2013-01-23 EP disclosed
EP-2504423-A1 MULTI-PURPOSE SUBSTRATES USEFUL FOR CELL CULTURE AND METHODS FOR MAKING AND USING THE SAME Corning Incorporated (US) 2012-10-03 EP disclosed
US-8252549-B2 Multi-purpose substrates useful for cell culture and methods for making CORNING INCORPORATED (US) 2012-08-28 US disclosed
US-20070111270-A1 cAMP reporters and high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-17 US disclosed
US-20070105123-A1 IRE-1alpha substrates MANNKIND CORPORATION (US) 2007-05-10 US disclosed
US-20070020700-A1 Lateral flow assay and device using magnetic particles IDEXX LABORATORIES, INC. 2007-01-25 US disclosed
US-20070020699-A1 Lateral flow assay and device using magnetic particles IDEXX LABORATORIES, INC. (US) 2007-01-25 US disclosed
EP-1745143-A1 METHODS AND TOOLS FOR DETECTING COLLAGEN DEGRADATION Cambrex Bio Science Walkersville, Inc (US) 2007-01-24 EP disclosed
WO-2005113794-A1 METHODS AND TOOLS FOR DETECTING COLLAGEN DEGRADATION CAMBREX BIO SCIENCE WALKERSVILLE, INC. (US) 2005-12-01 WO disclosed
US-20050250171-A1 Methods and tools for detecting collagen degradation CAMBREX BIO SCIENCE WALKERSVILLE, INC. (US) 2005-11-10 US disclosed
US-20010055776-A1 High throughput cell-based assay kits GREENWALT DALE (US) 2001-12-27 US disclosed
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 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 (1 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-20170117100-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF DLK1, CACNA1C, CRY1 PLOD2 755/4885CES1 1639/4885CES2 2044/4885

“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.