SCHEMBL669192

SCHEMBL669192

Oc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.62
HDAC4 P56524 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HNF4A P41235 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.50
IDO1 P14902 1/20 0.47
BACE1 P56817 1/20 0.46
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 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
Potassium SCHEMBL29827094 0.98 CYP2A6 (0.60) CYP2A6HDAC4HDAC2HDAC8HDAC6
SCHEMBL30146815 0.87 CYP2A6 (0.64) CYP2A6HDAC4HDAC2HDAC8HDAC6
Octane SCHEMBL2806550 0.86 CYP2A6 (0.47) CYP2A6HDAC4HDAC2HDAC8HDAC6
SCHEMBL60283 0.83 HDAC4 (0.65) CYP2A6HDAC4HDAC2HDAC8HDAC6
SCHEMBL30605196 0.83 HDAC4 (0.65) CYP2A6HDAC4HDAC2HDAC8HDAC6
SCHEMBL380375 0.82 CYP2A6 (0.50) CYP2A6HDAC4HDAC2HDAC8HDAC6
SCHEMBL932318 0.81 IDO1 (0.50) CYP2A6ALDH1A1HPGDIDO1TSHR
SCHEMBL21801283 0.81 IDO1 (0.43) CYP2A6HDAC4HDAC2HDAC8HNF4A
SCHEMBL1423606 0.81 IDO1 (0.51) CYP2A6ALDH1A1HSD17B10IDO1MAPK14
SCHEMBL3805586 0.80 HDAC4 (0.62) CYP2A6HDAC4HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021054927-A2 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2021-03-25 WO claimed
US-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2020-02-13 US claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-106631708-A Preparation method of 2,6-diphenylphenol 烟台海川化学制品有限公司 2017-05-10 CN claimed
US-9622969-B2 Polymer conjugated protein micelles SOUTH DAKOTA STATE UNIV (US) 2017-04-18 US claimed
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES SOUTH DAKOTA STATE UNIVERSITY (US) 2014-12-18 US claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-7179849-B2 Antimicrobial compositions containing colloids of oligodynamic metals C. R. BARD, INC. (US) 2007-02-20 US claimed
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLOSURE MEDICAL CORPORATION (US) 2005-02-24 US claimed
EP-1508601-A1 Cyanoacrylate compositions containing anti-microbial agent Closure Medical Corporation (US) 2005-02-23 EP claimed
US-6197321-B1 CONTAINING MICROBIAL SANITIZER AND HARDENER ECOLAB, INC. 2001-03-06 US claimed
US-6066606-A MIXTURE OF TERPENE, SURFACTANT AND WATER RECKITT & COLMAN INC. (US) 2000-05-23 US claimed
US-5312624-A Sanitizing drains by dispensing chemicals in housings ECOLAB INC. (US) 1994-05-17 US claimed
US-4669491-A Compositions and process for applying protective covering and extensions to fingernails Weisberg, Renee (US) 1987-06-02 US claimed
US-4468508-A Glycidyl ether of novolak type substituted phenolic resin, process for producing the same, and encapsulating compound composed mainly of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-28 US claimed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed
WO-1980000791-A1 B-GLUCURONIDASE ACTIVITY AND/OR PH-DEPENDENT PHARMACEUTICALS AND THEIR METHODS OF PRODUCTION AND USE FOR SELECTIVE TREATMENT OF DISEASES SCHWIMMER A (US) 1980-05-01 WO claimed
US-4157977-A HYDROXYACETIC ACID, PHENOLIC DERIVATIVE, ANIONIC SURFACTANT CHEMED CORPORATION (US) 1979-06-12 US claimed
US-RE28778-E ANIONIC SURFACTANT WEST LABORATORIES, INC. (US) 1976-04-20 US claimed
US-3947468-A Production of dibenzopyrans, their isomeric fluorenols and dibenzothiopyrans GENERAL ELECTRIC COMPANY (US) 1976-03-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS GSTK1, GSTO1, GSTM2 CYP2A6 1261/4885HDAC4 2230/4885HDAC2 1604/4885
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES MTDH, PSMG3, GHITM CYP2A6 4254/4885HDAC4 2934/4885HDAC2 4388/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 CYP2A6 4014/4885HDAC4 1686/4885HDAC2 3520/4885

“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.