SCHEMBL515819

SCHEMBL515819

Oc1cc(F)c(F)c(O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
CA4 P22748 2/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL78211 0.84 CA1 (0.43) CES2CES1CA3CA6CA5A
SCHEMBL29716720 0.79 CES2 (0.38) CES2CES1CA3CA6CA5A
SCHEMBL5509678 0.79 CES2 (0.38) CES2CES1CA3CA6CA5A
SCHEMBL258682 0.79 CES2 (0.38) CES2CES1CA3CA6CA5A
SCHEMBL29919382 0.77 CES2 (0.36) CES2CES1CA3CA6CA5A
SCHEMBL67874 0.77 CA3 (0.36) CA3CA6CA5ACA9CA14
SCHEMBL368571 0.77 CES2 (0.36) CES2CES1CA3CA6CA5A
Cyanide SCHEMBL28063240 0.77 CA1 (0.39) CES2CES1CA3CA6CA5A
SCHEMBL31150397 0.74 HSD17B1 (0.39) CES2CES1CA1CA2HSD17B1
SCHEMBL11589756 0.74 HSD17B1 (0.39) CES2CES1CA1CA2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853647-B1 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2004-10-13 EP claimed
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US claimed
EP-0853647-A1 FLUORINATED XANTHENE DERIVATIVES Molecular Probes Inc. (US) 1998-07-22 EP claimed
WO-1997039064-A1 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES, INC. (US) 1997-10-23 WO claimed
EP-3137551-B1 FIBER REINFORCED POLYETHERIMIDE COMPOSITIONS SHPP GLOBAL TECH BV (NL) 2024-08-07 EP disclosed
EP-2935695-B1 ELECTRICAL INSULATION PAPER, METHODS OF MANUFACTURE, AND ARTICLES MANUFACTURED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-09-04 EP disclosed
CN-106459412-B Fibre-reinforced polyetherimide compositions 沙特基础工业全球技术公司 2019-07-30 CN disclosed
EP-2298312-B1 Fluorinated resorufin compounds and their application in detecting hydrogen peroxide MOLECULAR PROBES INC (US) 2018-09-26 EP disclosed
US-20180162086-A1 HONEYCOMB PAPER SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-06-14 US disclosed
US-9994710-B2 Fiber reinforced polyetherimide compositions SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-06-12 US disclosed
EP-3302956-A1 HONEYCOMB PAPER SABIC Global Technologies B.V. (NL) 2018-04-11 EP disclosed
CN-104169482-B Electrically-insulating paper, manufacture method and the product being produced from it 沙特基础全球技术有限公司 2017-11-17 CN disclosed
US-20050096315-A1 for detecting reactive oxygen species, e.g., hydrogen peroxide; used in immunology, diagnostics, molecular biology and fluorescence based assays Life Technologies Corporation 2005-05-05 US disclosed
EP-1441010-A1 Fluorinated xanthene derivatives Molecular Probes, Inc. (US) 2004-07-28 EP disclosed
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed
EP-0664014-B1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL NV (NL) 1998-08-19 EP disclosed
EP-0824096-A2 Process for the preparation of halogenated (meth)acrylic esters and poly (meth) arcylates obtained with said (meth)acrylic esters Akzo Nobel N.V. (NL) 1998-02-18 EP disclosed
EP-0664014-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS Akzo Nobel N.V. (NL) 1995-07-26 EP disclosed
WO-1994008269-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL N.V. (NL) 1994-04-14 WO 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-20050096315-A1 for detecting reactive oxygen species, e.g., hydrogen peroxide; used in immunology, diagnostics, molecular biology and fluorescence based assays GPX4, PRDX3, MPO CES2 1931/4885CES1 851/4885CA3 3692/4885

“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.