SCHEMBL5456700

SCHEMBL5456700

CCOC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
F10 P00742 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
F2 P00734 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
POLB P06746 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48

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
SCHEMBL7470835 0.92 DDR1 (0.49) ELANECYP4F2CYP4A11F10MEN1
SCHEMBL29035735 0.88 ALDH1A1 (0.58) MEN1KMT2AMAPTMRGPRX4TDP1
SCHEMBL5751056 0.88 CYP4F2 (0.51) CYP4F2CYP4A11F10MEN1KMT2A
SCHEMBL8810201 0.84 F10 (0.49) ELANEF10F2MRGPRX4POLB
SCHEMBL2341305 0.84 KAT6A (0.48) MRGPRX4TAS1R3TAS1R1TAS1R2
SCHEMBL31182094 0.84 POLB (0.51) ELANEMEN1KMT2AMRGPRX4POLB
SCHEMBL28332878 0.84 F10 (0.53) CYP4F2CYP4A11F10MEN1KMT2A
Hydrochloric Acid SCHEMBL8552872 0.83 F10 (0.48) ELANEF10F2MRGPRX4POLB
SCHEMBL31618892 0.83 CYP4F2 (0.52) CYP4F2CYP4A11F10MEN1KMT2A
SCHEMBL27655999 0.83 CYP4F2 (0.52) CYP4F2CYP4A11F10MEN1KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063302-A Metal complex and electroluminescent device containing same 北京夏禾科技有限公司 2024-05-24 CN disclosed
CN-111018921-B Metal complex and electroluminescent device containing same 北京夏禾科技有限公司 2024-02-27 CN disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 CN disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 WO disclosed
CN-111018921-A Metal complex and electroluminescent device containing same 北京夏禾科技有限公司 2020-04-17 CN disclosed
EP-2768834-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
EP-2768834-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
CN-102725290-B As the condensed heterocyclic compouds of ion channel modulators GILEAD SCIENCES, INC. (US) 2016-03-09 CN disclosed
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators GlaxoSmithKline, LLC (US) 2014-09-04 US disclosed
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators GlaxoSmithKline, LLC (US) 2014-09-04 US disclosed
EP-2768834-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 EP disclosed
CN-104011053-A Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2014-08-27 CN disclosed
WO-2013059589-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013059589-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013004984-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-10 WO disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP 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 (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-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH ELANE 4800/4885CYP4F2 71/4885CYP4A11 304/4885
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators SIRT1, SIRT3, SIRT2 ELANE 3453/4885CYP4F2 1985/4885CYP4A11 1552/4885

“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.