SCHEMBL6697115

SCHEMBL6697115

CSc1ccc2c[c]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
MCL1 Q07820 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SLC6A4 P31645 1/20 0.31
TYMS P04818 1/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8748400 0.80 TYMS (0.35) SLC6A4TYMSCYP3A4
SCHEMBL8637909 0.79 AKR1C3 (0.52) AKR1C3AKR1C2MCL1CYP1A1CYP1A2
SCHEMBL29740644 0.79 AKR1C3 (0.52) AKR1C3AKR1C2MCL1CYP1A1CYP1A2
SCHEMBL8748395 0.75 MAOA (0.44) MCL1CYP1A2SLC6A4ALDH1A1KDM4E
SCHEMBL29180421 0.74 AKR1C3 (0.48) AKR1C3AKR1C2MCL1CYP1A1CYP1A2
SCHEMBL645484 0.74 CYP1A2 (0.59) CYP1A2HSD17B10ALDH1A1CYP3A4ALOX15
SCHEMBL129202 0.74
SCHEMBL559813 0.71
SCHEMBL21551821 0.71 AKR1C3 (0.45) AKR1C3AKR1C2MCL1CYP1A2SLC6A4
SCHEMBL70257 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
CN-106572659-A Noxious arthropod control agent containing amide compound 住友化学株式会社 2017-04-19 CN disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-0987567-B1 A sulfur-containing (thio)ether (co)polymer and a use thereof MITSUI CHEMICALS INC (JP) 2004-04-07 EP disclosed
CN-1117991-C (Co) polymer containing sulphur, (thio-) ether and its use MITSUI CHEMICALS INC (JP) 2003-08-13 CN disclosed
US-6320020-B1 POLYMER OR COPOLYMER CONTAINING A SULFUR ATOM WHOSE PRINCIPAL BACKBONE COMPRISES ETHER AND/OR THIOETHER BONDS; OPTICAL DISK SUBSTRATE; A LIQUID-CRYSTAL PLASTIC SUBSTRATE; VARIOUS OPTICAL LENSES INCLUDING AN EYEGLASS; AND AN LED SEALING COAT. MITSUI CHEMICALS, INC. (JP) 2001-11-20 US disclosed
EP-0987567-A1 A sulfur-containing (thio)ether (co)polymer and a use thereof Mitsui Chemicals, Inc. (JP) 2000-03-22 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 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-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 AKR1C3 470/4885AKR1C2 1437/4885MCL1 4135/4885

“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.