SCHEMBL513003

SCHEMBL513003

O=[C]COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAOB P27338 7/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AOC3 Q16853 1/20 0.44
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
GRM4 Q14833 1/20 0.41
KIF11 P52732 2/20 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
SCHEMBL2170360 0.82 CA12 (0.42) ALDH1A1MAOBCA1CA2CA9
SCHEMBL27468824 0.80 NOS1 (0.39) ALDH1A1MRGPRX4CHRNB2CHRNB4CHRNA3
SCHEMBL4441776 0.80 MAOB (0.47) ALDH1A1MAOBCA1CA2CA9
SCHEMBL514624 0.80 MAOB (0.44) ALDH1A1MAOBAOC3MRGPRX4KIF11
SCHEMBL10572213 0.80 GSTP1 (0.49) ALDH1A1MAOBCA1CA2CA9
SCHEMBL1059941 0.80 SMN1; SMN2 (0.55) ALDH1A1MAOBCA1CA2CA9
SCHEMBL6209472 0.78 KDM4E (0.54) ALDH1A1MAOBAOC3MRGPRX4
SCHEMBL99544 0.77 DAO (0.43) MAOBCA1CA2CA9
SCHEMBL2099227 0.77 ALDH1A1 (0.53) ALDH1A1MAOBCA1CA2CA9
SCHEMBL10574245 0.76 ALDH1A1 (0.45) ALDH1A1MAOBAOC3MRGPRX4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777640-B Pyrazole cyclohexanediol ether compound and application thereof 沈阳中化农药化工研发有限公司 2020-01-07 CN claimed
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US claimed
EP-0787135-B1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PF MEDICAMENT (FR) 2000-05-24 EP claimed
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP claimed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
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-105777640-B Pyrazole cyclohexanediol ether compound and application thereof 沈阳中化农药化工研发有限公司 2020-01-07 CN 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
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 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-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4172832-A Mercaptoalcohols and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-10-30 US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3960844-A Preparation of 6-acylamino-2-methyl-2-halomethyl penams ELI LILLY AND COMPANY (US) 1976-06-01 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885MAOB 3755/4885CA1 1364/4885

“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.