SCHEMBL2105728

SCHEMBL2105728

CCCCC([O])c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A4 P31645 1/20 0.43
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ACP3 P15309 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL2104678 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL15353192 0.93 KDM4E (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL15352972 0.93 KDM4E (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL2104687 0.89 CYP2C9 (0.52) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL7694470 0.85 PPARG (0.36) CYP2C9ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL6686055 0.83 ALDH1A1 (0.53) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL11280291 0.82 ALDH1A1 (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL430798 0.82 CYP2C9 (0.55) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL28088543 0.81 CYP2C9 (0.47) CYP2C9ALDH1A1CYP1A2CYP2C19SLC6A4
SCHEMBL7690977 0.81 PPARG (0.40) CYP2C9ALDH1A1CYP1A2CYP2C19KMT2A

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
EP-2754682-B1 METHOD FOR MANUFACTURING BLOCK COPOLYMER NIPPON KAYAKU KK (JP) 2017-06-07 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US 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
US-9434822-B2 Block copolymer, micelle preparation, and anticancer agent containing the same as active ingredient NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-09-06 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 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 (4 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-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT CYP2C9 4407/4885ALDH1A1 1463/4885CYP1A2 3035/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2C9 443/4885ALDH1A1 151/4885CYP1A2 360/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2C9 443/4885ALDH1A1 151/4885CYP1A2 360/4885
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, UQCRB, RPS20 CYP2C9 78/4885ALDH1A1 2181/4885CYP1A2 228/4885

“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.