SCHEMBL1044896

SCHEMBL1044896

Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
GPR3 P46089 1/20 0.49
SCN5A Q14524 10/20 0.47
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
MMP12 P39900 1/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SCN10A Q9Y5Y9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL17110105 1.00 KIF11 (0.53) KIF11BCHEACHEGPR3SCN5A
SCHEMBL91415 0.93 GPR3 (0.53) KIF11BCHEACHEGPR3FFAR4
Ammonia Solution, Strong SCHEMBL2444176 0.91 GPR3 (0.52) KIF11BCHEACHEGPR3FFAR4
SCHEMBL13393735 0.86 TEAD4 (0.52) KIF11BCHEACHEGPR3FFAR4
SCHEMBL12148743 0.83 GPR3 (0.47) KIF11BCHEACHEGPR3SCN5A
SCHEMBL9226902 0.83 GPR3 (0.48) KIF11BCHEACHEGPR3SCN5A
SCHEMBL2084265 0.82 KIF11 (0.53) KIF11
SCHEMBL12152581 0.81 ACHE (0.38) KIF11BCHEACHEKCNH2
SCHEMBL10018707 0.81 ACHE (0.38) KIF11BCHEACHEKCNH2
SCHEMBL9061561 0.81 RELA (0.59) BCHEACHEGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2022006439-A2 COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 WO disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
EP-2799516-B1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF HALATION PHOTONICS CORP (CN) 2019-02-20 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-7314943-B2 Pyran derivatives containing an exocyclic double bond MERCK PATENT GMBH (DE) 2008-01-01 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 US disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 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 (5 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KIF11 3287/4885BCHE 3965/4885ACHE 4103/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KIF11 3946/4885BCHE 4833/4885ACHE 4670/4885
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX KIF11 4247/4885BCHE 683/4885ACHE 554/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C KIF11 2110/4885BCHE 1914/4885ACHE 1674/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 KIF11 755/4885BCHE 2865/4885ACHE 1667/4885

“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.