SCHEMBL3391383

SCHEMBL3391383

COC(=O)c1[c]cc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
PAX8 Q06710 1/20 0.46
SLC6A3 Q01959 5/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALPL P05186 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL3390191 0.81 KDM4E (0.48) TSHRALDH1A1KDM4EHPGDLMNA
SCHEMBL293511 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL5748265 0.77 KDM4E (0.44) TSHRALDH1A1KDM4EHPGDLMNA
SCHEMBL3899987 0.77 IDO1 (0.42) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1514519 0.75 RAB9A (0.54) ALDH1A1KDM4EHPGDNPSR1CASP3
SCHEMBL29438041 0.72 KDM4E (0.61) HSP90AA1PAX8SLC6A3SLC6A2SLC6A4
SCHEMBL68218 0.72 KDM4E (0.61) HSP90AA1PAX8SLC6A3SLC6A2SLC6A4
SCHEMBL4923644 0.71 ALOX15 (0.44) HSP90AA1PAX8SLC6A3SLC6A2SLC6A4
SCHEMBL4722902 0.71 SLC6A3 (0.44) HSP90AA1PAX8SLC6A3SLC6A2SLC6A4
SCHEMBL7302208 0.70 CA1 (0.52) SLC6A3KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO 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 (5 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 HSP90AA1 802/4885PAX8 2602/4885SLC6A3 3970/4885
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 HSP90AA1 3725/4885PAX8 1909/4885SLC6A3 4204/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 HSP90AA1 1912/4885PAX8 1356/4885SLC6A3 4174/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 HSP90AA1 3725/4885PAX8 1909/4885SLC6A3 4204/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 HSP90AA1 4641/4885PAX8 2366/4885SLC6A3 2809/4885

“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.