SCHEMBL2998926

SCHEMBL2998926

CCCC[C](CC)CCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.43
CES2 O00748 6/20 0.43
ALDH1A1 P00352 5/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
AKR1B1 P15121 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL8582939 0.94 CES1 (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL9713106 0.91 CES2 (0.46) CES1CES2ALDH1A1TSHRAKR1B1
Ammonia Solution, Strong SCHEMBL28852850 0.90 CES1 (0.45) CES1CES2ALDH1A1TP53CA1
SCHEMBL10496754 0.88 CES2 (0.48) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL3335255 0.88 CES2 (0.48) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL7698922 0.88 CES2 (0.48) CES1CES2ALDH1A1TSHRAKR1B1
SCHEMBL4075418 0.87 CES1 (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL5961192 0.87 CES1 (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL26822 0.87
SCHEMBL1678094 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016037223-A1 DIRHODIUM COMPOUNDS AND METHODS OF USE GHANEM ASHRAF (AU) 2016-03-17 WO claimed
CN-118302485-A Resin composition 日产化学株式会社 2024-07-05 CN disclosed
CN-117099046-A Photosensitive resin composition for forming insulating film 日产化学株式会社 2023-11-21 CN disclosed
WO-2023176259-A1 PHOTOSENSITIVE RESIN COMPOSITION FOR FORMING INSULATING FILM 日産化学株式会社 2023-09-21 WO disclosed
WO-2023106101-A1 RESIN COMPOSITION 日産化学株式会社 2023-06-15 WO disclosed
WO-2023106108-A1 PHOTOSENSITIVE RESIN COMPOSITION 日産化学株式会社 2023-06-15 WO disclosed
US-11643544-B2 Resin composition, and prepreg, metal-clad laminate, and printed circuit board prepared using the same TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2023-05-09 US disclosed
CN-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed
CN-114254630-A Translation method, translation device, electronic equipment and readable storage medium 北京捷通华声科技股份有限公司 2022-03-29 CN disclosed
CN-114037501-A Structural recommendation algorithm, device and equipment based on heterogeneous feedback 深圳大学 2022-02-11 CN disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 US disclosed
US-5194621-A Lubricant additives for improved wear and oxidation resistance R. T. VANDERBILT COMPANY, INC. (US) 1993-03-16 US disclosed
US-5187159-A Hypotensive agents, psychological disorders MERCK & CO., INC. (US) 1993-02-16 US disclosed
US-4970331-A Vinyl ethers and fluorine-containing copolymers prepared therefrom DAIKIN INDUSTRIES, LTD. (JP) 1990-11-13 US disclosed
US-4904814-A CATALYTIC TRANSESTERIFICATION OF METHYL OR ETHYL ESTERS WITH TERTIARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
US-4804654-A INSECTICIDES, MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US disclosed
EP-0278914-A2 Process for the preparation of tert.-alkyl esters of succinic acid CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed
CN-87103208-A PHOSPHORAMIDO COMPOUNDS 1988-08-17 CN disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 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 (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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 CES1 3350/4885CES2 4335/4885ALDH1A1 4454/4885

“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.