SCHEMBL513951

SCHEMBL513951

Cc1[c]c(C)c(Cl)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL5100650 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL5100631 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL395719 0.72
SCHEMBL27762416 0.72 SMN1; SMN2 (0.32) ALOX15ALDH1A1MAPT
SCHEMBL27887395 0.70
SCHEMBL7010710 0.70 ALDH1A1 (0.36) CYP3A4ALDH1A1RAPGEF4
SCHEMBL4627832 0.68 ALDH1A1 (0.43) CYP3A4ALOX15ALDH1A1
SCHEMBL5847851 0.68 CA1 (0.43) CYP3A4ALDH1A1GAAMAPT
SCHEMBL816541 0.68 ALDH1A1 (0.31) ALOX15ALDH1A1
SCHEMBL3340131 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-6210863-B1 ORTHO-SUBSTITUTED ON AT LEAST TWO ARYL RADICALS, ADDITION POLYMERIZATION CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-03 US disclosed
US-6190824-B1 POLYMERIZABLE MONOMER, A PHOTOPOLYMERIZATION INITIATOR, AND A DIAZONIUM SALT HAVING A SPECIFIC, BORON ANION PORTION FUJI PHOTO FILM CO., LTD. (JP) 2001-02-20 US disclosed
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
US-6057078-A PHOTOGRAPHY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
US-5807905-A POLYMERIZATION OF UNSATURATED COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-15 US disclosed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
CN-1122597-A Intermediates and methods for the synthesis of anthrapyrazolone anticancer agents DU PONT MERCK PHARMA (US) 1996-05-15 CN disclosed
EP-0432940-B1 Improved low sediment method for preparing copper salts of polyolefinic-substituted dicarboxylic acids EXXON CHEMICAL PATENTS INC (US) 1995-07-05 EP disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
US-5075019-A LOW SEDIMENT METHOD FOR PREPARING COPPER SALTS OF POLYOLEFINIC-SUBSTITUTED DICARBOXYLIC ACIDS EXXON CHEMICAL PATENTS INC. (US) 1991-12-24 US disclosed
US-5043083-A Reacting with primary or secondary amine EXXON CHEMICAL PATENTS, INC. (US) 1991-08-27 US disclosed
EP-0432940-A2 Improved low sediment method for preparing copper salts of polyolefinic-substituted dicarboxylic acids EXXON CHEMICAL PATENTS INC. (US) 1991-06-19 EP disclosed
EP-0382449-A2 Method for preparing salts of polyolefinic substituted dicarboxylic acids in oleaginous mixtures of reduced viscosity EXXON CHEMICAL PATENTS INC. (US) 1990-08-16 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 (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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CYP3A4 372/4885CHRM1 698/4885ALOX15 919/4885

“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.