SCHEMBL513004

SCHEMBL513004

O=CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAOB P27338 8/20 0.47
AOC3 Q16853 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PPARA Q07869 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL11083312 0.94 LTA4H (0.49) ALDH1A1MAOBAOC3CA1CA2
SCHEMBL2726596 0.82 CA12 (0.42) ALDH1A1AOC3CA1CA2CA9
SCHEMBL27467410 0.81 PPARA (0.40) ALDH1A1MAOBAOC3CYP1A1CYP1B1
SCHEMBL15756604 0.81 PPARA (0.47) ALDH1A1MAOBAOC3CYP1A1CYP1B1
Formic Acid SCHEMBL15743043 0.80 ALDH1A1 (0.46) ALDH1A1MAOBAOC3CA1CA2
SCHEMBL8341924 0.80 PPARA (0.39) ALDH1A1CYP1A1CYP1B1PPARAMRGPRX4
SCHEMBL1822846 0.80 SMN1; SMN2 (0.55) ALDH1A1MAOBAOC3CA1CA2
SCHEMBL514625 0.80 MAOB (0.47) ALDH1A1MAOBAOC3PPARAMRGPRX4
SCHEMBL1400474 0.80 CA12 (0.49) ALDH1A1MAOBAOC3CA1CA2
SCHEMBL7263140 0.80 ALDH1A1 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
US-11161824-B2 Heterocyclic lipoxin analogs and uses thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-11-02 US disclosed
US-11161824-B2 Heterocyclic lipoxin analogs and uses thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-11-02 US disclosed
EP-3500559-B1 HETEROCYCLIC LIPOXIN ANALOGS AND USES THEROF UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2021-06-16 EP disclosed
EP-3500559-B1 HETEROCYCLIC LIPOXIN ANALOGS AND USES THEROF UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2021-06-16 EP disclosed
US-20210053927-A1 Heterocyclic Lipoxin Analogs and Uses Thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-02-25 US disclosed
US-20210053927-A1 Heterocyclic Lipoxin Analogs and Uses Thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-02-25 US disclosed
EP-3500559-A1 HETEROCYCLIC LIPOXON ANALOGS AND USES THEROF University College Dublin (IE) 2019-06-26 EP disclosed
WO-2018033642-A9 HETEROCYCLIC LIPOXIN ANALOGS AND USES THEREOF UNIVERSITY COLLEGE DUBLIN (IE) 2018-10-18 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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 (4 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-11161824-B2 Heterocyclic lipoxin analogs and uses thereof LTB4R2, ALOX12, ALOX15B ALDH1A1 1306/4885MAOB 382/4885AOC3 476/4885
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R ALDH1A1 1460/4885MAOB 567/4885AOC3 255/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885MAOB 3755/4885AOC3 894/4885
US-20210053927-A1 Heterocyclic Lipoxin Analogs and Uses Thereof LTB4R2, ALOX12, ALOX15B ALDH1A1 1306/4885MAOB 382/4885AOC3 476/4885

“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.