SCHEMBL1487677

SCHEMBL1487677

[CH2]CCCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2A6 P11509 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 1/20 0.40
BCHE P06276 2/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40

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
SCHEMBL1611323 0.94 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL128560 0.94 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1610204 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1611043 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1612447 0.92 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL133399 0.88 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1306165 0.88 CYP1A2 (0.48) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1610472 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1610345 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL129049 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
CN-104271571-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
US-7901497-B2 Water-soluble naphthalocyanine coloring matter and water-based ink containing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-08 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100236448-A1 WATER-SOLUBLE NAPHTHALOCYANINE COLORING MATTER AND WATER- BASED INK CONTAINING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-09-23 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 (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-20100236448-A1 WATER-SOLUBLE NAPHTHALOCYANINE COLORING MATTER AND WATER- BASED INK CONTAINING THE SAME WNT1, IK, NAP1L4 SIGMAR1 335/4885CYP1A2 2864/4885CYP2A6 3874/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 SIGMAR1 1207/4885CYP1A2 18/4885CYP2A6 127/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 SIGMAR1 1473/4885CYP1A2 49/4885CYP2A6 100/4885
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, UQCRB, RPS20 SIGMAR1 833/4885CYP1A2 228/4885CYP2A6 572/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 SIGMAR1 223/4885CYP1A2 125/4885CYP2A6 1465/4885

“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.