SCHEMBL4581654

SCHEMBL4581654

CCC(C)Cn1ccnc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
TBXAS1 P24557 2/20 0.46
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 1/20 0.41
QPCT Q16769 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL20953982 1.00 FDPS (0.47) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
Iodide SCHEMBL4367921 0.98 FDPS (0.46) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
Sulfuric Acid SCHEMBL20853723 0.89 FDPS (0.47) FDPSTBXAS1CYP19A1QPCTALDH1A1
SCHEMBL17484070 0.84 TBXAS1 (0.47) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL143560 0.82 FDPS (0.46) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL4681300 0.82 FDPS (0.50) FDPSTBXAS1ALDH1A1
SCHEMBL4681306 0.82 FDPS (0.50) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL18638657 0.82 FDPS (0.46) FDPSTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL21796369 0.81 TBXAS1 (0.53) FDPSTBXAS1CYP19A1QPCT
SCHEMBL18216561 0.81 FDPS (0.48) FDPSTBXAS1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001976-A The method for improving the anti-coking of lubricating composition NYCO公司 2017-08-01 CN claimed
CN-101887802-B Quasi-solid electrolyte used for dye-sensitized solar cell and preparation method thereof TIANJIN LISHEN BATTERY 2012-06-06 CN claimed
CN-101887802-A Quasi-solid electrolyte used for dye-sensitized solar cell and preparation method thereof TIANJIN LISHEN BATTERY 2010-11-17 CN claimed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
CN-104471108-B Copper coating forming agent and method for forming copper coating 四国化成工业株式会社 2020-05-05 CN disclosed
US-10405422-B2 Copper film-forming agent and method for forming copper film SHIKOKU CHEMICALS CORPORATION (JP) 2019-09-03 US disclosed
CN-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 CN disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
CN-107406607-A Fiber reinforced composite material two-component-type composition epoxy resin and fiber reinforced composite material 东丽株式会社 2017-11-28 CN disclosed
CN-104818513-B Electroplating pool and metal coating and forming method thereof 丰田自动车株式会社 2017-08-18 CN disclosed
US-20170219927-A1 COMPOSITION FOR RESIST PATTERNING AND METHOD FOR FORMING PATTERN USING SAME AZ ELECTRIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2017-08-03 US disclosed
US-20140357503-A1 METHOD AND ARRAY FOR IDENTIFYING HISTONE-CODE-RELATED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-12-04 US disclosed
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN disclosed
US-20130164694-A1 RINSE SOLUTION FOR LITHOGRAPHY AND PATTERN FORMATION METHOD EMPLOYING THE SAME AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-27 US disclosed
CN-101887802-B Quasi-solid electrolyte used for dye-sensitized solar cell and preparation method thereof TIANJIN LISHEN BATTERY 2012-06-06 CN disclosed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN disclosed
CN-101887802-A Quasi-solid electrolyte used for dye-sensitized solar cell and preparation method thereof TIANJIN LISHEN BATTERY 2010-11-17 CN disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
EP-1951842-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2008-08-06 EP disclosed
WO-2007054470-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2007-05-18 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 (3 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-10405422-B2 Copper film-forming agent and method for forming copper film AOC1, AOC2, SOD1 FDPS 370/4885TBXAS1 2491/4885CYP11B1 4017/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 FDPS 366/4885TBXAS1 508/4885CYP11B1 343/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 FDPS 458/4885TBXAS1 2974/4885CYP11B1 302/4885

“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.