SCHEMBL727083

SCHEMBL727083

Cc1ccc(C(=O)C(C)(C)Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
ALDH1A1 P00352 5/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
GSK3B P49841 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
NTSR1 P30989 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47

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
SCHEMBL10710376 0.84 CA2 (0.53) CA2ALDH1A1CES2CES1LMNA
SCHEMBL1701967 0.83 CA2 (0.57) CA2ALDH1A1CES2CES1LMNA
SCHEMBL8519631 0.81 ESR1 (0.50) CA2CES2LMNAPKMHTT
SCHEMBL725519 0.81 CES2 (0.54) CA2ALDH1A1CES2CES1LMNA
SCHEMBL9250001 0.81 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL14588237 0.81 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL195231 0.81 CA2 (0.61) CA2ALDH1A1CES2CES1LMNA
SCHEMBL29137247 0.79 CA2 (0.64) CA2ALDH1A1CES2CES1LMNA
SCHEMBL29035942 0.79 CA2 (0.64) CA2ALDH1A1CES2CES1LMNA
SCHEMBL3443593 0.79 CES2 (0.52) CA2ALDH1A1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US disclosed
CN-1784429-A Novel trifunctional photoinitiators CIBA SC HOLDING AG (CH) 2006-06-07 CN disclosed
US-7034166-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US disclosed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-4053316-A PHOTOPOLYMERIZATION OF ETHYLENICALLY-UNSATURATED ORGANIC COMPOUNDS ICI UNITED STATES INC. (US) 1977-10-11 US disclosed
US-3982942-A MANGANESE CARBONYL CATALYST ICI UNITED STATES INC. (US) 1976-09-28 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 (2 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-20040210066-A1 Process for producing benzofuran derivative IWS1, HAT1, BRD1 CA2 2559/4885ALDH1A1 894/4885CES2 2551/4885
US-20060142598-A1 Process for producing benzofuran derivative AHR, CBR3, HAT1 CA2 2705/4885ALDH1A1 1129/4885CES2 2490/4885

“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.