SCHEMBL1228396

SCHEMBL1228396

C#CCCCCCCCCCCCCCCC[CH2]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL128961 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL128669 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL128196 1.00
SCHEMBL1274555 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1275460 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL128011 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL141691 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL20503206 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL20503190 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL126569 1.00 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702231-A Additives or compositions for imparting lubricity 三吉油脂株式会社 2023-02-14 CN disclosed
US-11548910-B2 Oligonucleotide production method NISSAN CHEMICAL CORPORATION (JP) 2023-01-10 US disclosed
EP-3082171-B1 COMPOSITION FOR ANODE BUFFER LAYER OF ORGANIC THIN FILM SOLAR CELL AND ORGANIC THIN FILM SOLAR CELL NISSAN CHEMICAL CORP (JP) 2022-04-27 EP disclosed
CN-113490710-A Polycarbonate resin composition 帝人株式会社 2021-10-08 CN disclosed
US-10562919-B2 Complex and process for preparing complex SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2020-02-18 US disclosed
EP-2759574-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORP (JP) 2019-08-21 EP disclosed
US-10322317-B2 Rubber composition, crosslinked rubber molded product and golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-06-18 US disclosed
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD NISSAN CHEMICAL CORPORATION (JP) 2019-06-06 US disclosed
US-10293215-B2 Rubber composition, crosslinked rubber molded product and golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-21 US disclosed
US-20180311622-A1 PURIFICATION METHOD FOR PURIFYING LIQUID, PURIFICATION METHOD FOR PURIFYING SILICON COMPOUND-CONTAINING LIQUID, METHOD FOR PRODUCING SILYLATING AGENT LIQUID, FILM FORMING MATERIAL OR DIFFUSING AGENT COMPOSITION, FILTER MEDIUM AND FILTER DEVICE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-11-01 US disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
WO-2007128774-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF SE (DE) 2007-11-15 WO disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
EP-1505098-B1 FLUORINE-CONTAINING WATER-SOLUBLE NONIONIC SURFACE -ACTIVE COMPOUNDS, USE THEREOF AND PROCESS FOR PREPARATION OF THE COMPOUNDS DAIKIN IND LTD (JP) 2007-01-17 EP disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
US-20050170989-A1 Fluorine-containing water-soluble nonionic surface-active compounds, use thereof and process for preparation of the compounds DAIKIN INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1505098-A1 FLUORINE-CONTAINING WATER-SOLUBLE NONIONIC SURFACE -ACTIVE COMPOUNDS, USE THEREOF AND PROCESS FOR PREPARATION OF THE COMPOUNDS Daikin Industries, Ltd. (JP) 2005-02-09 EP disclosed
US-4889953-A ANTITUMOR AND -CARCINOGENIC AGENTS; PLATELET ACTIVATING FACTOR ANTAGONIST; CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0304244-A2 Propanediol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-22 EP disclosed
EP-0254540-A2 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-27 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 (7 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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 CYP1A2 79/4885CYP2D6 596/4885MAPT 4697/4885
US-10293215-B2 Rubber composition, crosslinked rubber molded product and golf ball GIGYF2, RACK1, COG1 CYP1A2 464/4885CYP2D6 2668/4885MAPT 3275/4885
US-11548910-B2 Oligonucleotide production method RNGTT, OSGEP, PHAX CYP1A2 4134/4885CYP2D6 2610/4885MAPT 3183/4885
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD RNGTT, OSGEP, PHAX CYP1A2 4134/4885CYP2D6 2610/4885MAPT 3183/4885
US-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 CYP1A2 87/4885CYP2D6 115/4885MAPT 2680/4885
US-10562919-B2 Complex and process for preparing complex SCO2, AP1M1, AP3M1 CYP1A2 899/4885CYP2D6 1086/4885MAPT 4184/4885
US-20180311622-A1 PURIFICATION METHOD FOR PURIFYING LIQUID, PURIFICATION METHOD FOR PURIFYING SILICON COMPOUND-CONTAINING LIQUID, METHOD FOR PRODUCING SILYLATING AGENT LIQUID, FILM FORMING MATERIAL OR DIFFUSING AGENT COMPOSITION, FILTER MEDIUM AND FILTER DEVICE STOM, MLST8, SI CYP1A2 2969/4885CYP2D6 4375/4885MAPT 2680/4885

“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.