SCHEMBL8545831

SCHEMBL8545831

CC(Br)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
GRIA4 P48058 4/20 0.43
NR1H4 Q96RI1 2/20 0.41
TP53 P04637 1/20 0.39
KIF11 P52732 1/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PDE2A O00408 1/20 0.38
ALDH1A1 P00352 3/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL8762246 0.82 TSHR (0.48) TSHRLMNATYRGRIA4NR1H4
SCHEMBL1415320 0.81 ESR1 (0.38) LMNATYRMAPT
SCHEMBL8053565 0.80 GRIA4 (0.47) TSHRLMNATYRGRIA4NR1H4
SCHEMBL548066 0.79 TSHR (0.50) TSHRLMNATYRGRIA4NR1H4
SCHEMBL9621026 0.79 TSHR (0.50) TSHRLMNATYRGRIA4NR1H4
SCHEMBL12971364 0.78 TSHR (0.44) TSHRLMNATYRGRIA4NR1H4
SCHEMBL678227 0.78 PDE2A (0.50) TSHRKIF11PDE2AALDH1A1AKR1C3
SCHEMBL11494429 0.78 TSHR (0.39) TSHRLMNATYRGRIA4NR1H4
SCHEMBL22800995 0.78 TSHR (0.47) TSHRLMNATYRGRIA4NR1H4
SCHEMBL4963831 0.78 TSHR (0.47) TSHRLMNATYRGRIA4NR1H4

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
CN-108299315-A A kind of preparation method of acaricide fenazaquin 杨子辉 2018-07-20 CN claimed
CN-108299315-A A kind of preparation method of acaricide fenazaquin 杨子辉 2018-07-20 CN disclosed
CN-106604941-A Controlled radical polymerization 巴斯夫欧洲公司 2017-04-26 CN disclosed
US-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-19 US disclosed
EP-3114150-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-11 EP disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
WO-2015134591-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2015-09-11 WO disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
CN-101448800-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-03 CN disclosed
CN-1938266-A Sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER PROD INC (US) 2007-03-28 CN disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed
US-5026850-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-25 US disclosed
US-4877787-A Benzylthio pyridazinone derivatives, preparation thereof, and insecticidal acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES (JP) 1989-10-31 US disclosed
EP-0134439-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF AND INSECTICIDAL, ACARICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-08-24 EP disclosed
EP-0134439-A1 Pyridazinone derivatives, preparation thereof and insecticidal, acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-20 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-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION GLO1, TET1, RIOX2 TSHR 4673/4885LMNA 3944/4885TYR 3082/4885

“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.