SCHEMBL6130331

SCHEMBL6130331

[CH2]CCCc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
KRAS P01116 1/20 0.33
AHR P35869 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6650824 0.91 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL6130333 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL2366873 0.76 TLR8 (0.42) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL18242334 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL3757556 0.76 TAAR1 (0.54) TSHRHSD17B10CYP3A4
SCHEMBL8106157 0.76 NPC1 (0.43) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL11239663 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL12474313 0.76 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL18242042 0.74 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL900267 0.74 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
EP-1347952-A4 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-10-26 EP disclosed
EP-1347952-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-10-01 EP disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 US disclosed
US-4508910-A Herbicidal 4-benzoyl-5-hydroxy-pyrazales SANKYO COMPANY LTD. (JP) 1985-04-02 US disclosed
US-4414392-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY, LTD. (JP) 1983-11-08 US disclosed
US-4301293-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LTD. (JP) 1981-11-17 US disclosed
US-4261729-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 US disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885TSHR 648/4885HSD17B10 339/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885TSHR 648/4885HSD17B10 339/4885

“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.