SCHEMBL498072

SCHEMBL498072

O=C(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.61
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SRC P12931 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MLYCD O95822 1/20 0.40
CA2 P00918 3/20 0.39

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
SCHEMBL31758199 0.94 CES1 (0.59) CES1CES2TSHRDAONAPRT
SCHEMBL8797871 0.92 CES1 (0.57) CES1CES2TSHRDAONAPRT
SCHEMBL1056586 0.86 CES1 (0.67) CES1CES2TSHRDAONAPRT
Benzoic Acid SCHEMBL28183938 0.79 TSHR (0.56) CES1CES2TSHRDAONAPRT
SCHEMBL11982629 0.79 CA2 (0.63) CES1CES2ALDH1A1HDAC1HDAC7
SCHEMBL10528373 0.77 CES1 (0.67) CES1CES2TSHRDAONAPRT
Perflubutane SCHEMBL28615208 0.77 TSHR (0.67) CES1CES2TSHRDAONAPRT
Perflutren SCHEMBL28607914 0.77 TSHR (0.67) CES1CES2TSHRDAONAPRT
SCHEMBL33083 0.77 CES1 (1.00) CES1CES2TSHRDAONAPRT
SCHEMBL7907262 0.77 CES1 (0.73) CES1CES2TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037455-B1 METHOD FOR SEPARATING CARBOXYLIC ACID COMPOUND CONTAINING PERFLUORO(POLY)ETHER GROUP DAIKIN IND LTD (JP) 2018-10-31 EP disclosed
EP-3351250-A2 PHOSPHATE MANAGEMENT WITH SMALL MOLECULES Opko Ireland Global Holdings, Ltd. (IE) 2018-07-25 EP disclosed
EP-3251677-A2 PHOSPHATE MANAGEMENT WITH SMALL MOLECULES OPKO Ireland Global Holdings, Limited (IE) 2017-12-06 EP disclosed
EP-2389183-B1 PHOSPHATE MANAGEMENT WITH SMALL MOLECULES OPKO IRELAND GLOBAL HOLDINGS LTD (IE) 2017-05-31 EP disclosed
EP-3037455-A1 METHOD FOR SEPARATING CARBOXYLIC ACID COMPOUND CONTAINING PERFLUORO(POLY)ETHER GROUP Daikin Industries, Ltd. (JP) 2016-06-29 EP disclosed
US-9198923-B2 Phosphate management with small molecules Opko Ireland Global Holdings, Ltd. (KY) 2015-12-01 US disclosed
US-9198923-B2 Phosphate management with small molecules Opko Ireland Global Holdings, Ltd. (KY) 2015-12-01 US disclosed
US-20120028926-A1 Phosphate Management with Small Molecules CYTOCHROMA INC. (CA) 2012-02-02 US disclosed
US-20120028926-A1 Phosphate Management with Small Molecules CYTOCHROMA INC. (CA) 2012-02-02 US disclosed
US-8106222-B2 Fluorine-containing ether compound FUJIFILM CORPORATION (JP) 2012-01-31 US disclosed
US-6261738-B1 LATENT CURING CATALYSTS FOR PHOTORESISTS SUCH AS 2,2,2-TRIFLUORO-1-PHENYL-ETHANONE OXIME-O-METHYL SULFONATE CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-17 US disclosed
EP-0458201-B1 9,9-Bis(perfluoroalkyl)xanthene 9-aryl-9-perfluoroalkylxanthene, monomers and polymers derived therefrom DU PONT (US) 1997-08-27 EP disclosed
US-5202446-A Used in preperation of polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-13 US disclosed
US-5189138-A COMPOUNDS, MONOMERS, AND POLYMERS BASED ON PERFLUOROALKYL AND PERFLUOROALKYL-ARYL DIOXAPENTACENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5153336-A Chemical intermediates for polyimides; rigid, low dielectric, waterproofing; electronic packaging E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
EP-0500026-A1 Compounds, monomers, and polymers based on perfluoroalkyl and perfluoroalkyl-aryl dioxapentacene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-26 EP disclosed
US-5101004-A Packaging electronic apparatus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-31 US disclosed
US-5097000-A Polyimides, packaging for electronic equipment E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-17 US disclosed
EP-0458201-A2 9,9-Bis(perfluoroalkyl)xanthene 9-aryl-9-perfluoroalkylxanthene, monomers and polymers derived therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
US-5051520-A Chemical intermediates for polymers such as polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-24 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-20120028926-A1 Phosphate Management with Small Molecules SLC34A2, PHPT1, SLC34A3 CES1 1535/4885CES2 3144/4885TSHR 2366/4885

“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.