SCHEMBL2056782

SCHEMBL2056782

CC(C)(C)c1cccc(N)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 4/20 0.39
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KEAP1 Q14145 1/20 0.36
CD44 P16070 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
NSD2 O96028 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
Ethylene SCHEMBL27478030 0.96 CA2 (0.43) CA2CYP3A4TSHRGABRA1GABRB2
SCHEMBL9253214 0.85 CYP3A4 (0.48) CA2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL25696408 0.85 CA2 (0.37) CA2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL24126312 0.85 CA2 (0.41) CA2CYP3A4TSHRGABRA1GABRB2
SCHEMBL304569 0.82 CA2 (0.57) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL4461655 0.80 CA2 (0.50) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL6061735 0.78 CA2 (0.32) CA2TSHRALDH1A1TDP1MEN1
SCHEMBL6028201 0.78 CD44 (0.48) CA2CYP3A4TSHRGABRA1GABRB2
SCHEMBL70170 0.77 TSHR (0.50) CA2CYP3A4TSHRGABRA1GABRB2
SCHEMBL9607578 0.76 CD44 (0.52) CA2CYP3A4TSHRGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957240-B Preparation method and application of carbonyl ring-closed arylamine fluorescent compound 广东工业大学 2024-07-19 CN claimed
CN-118027031-A Carbonyl ring-closed arylamine fluorescent compound with narrow band emission, and preparation method and application thereof 广东工业大学 2024-05-14 CN claimed
CN-117003753-A Carbonyl arylamine pi stacking fluorescent dye and preparation method thereof 广东工业大学 2023-11-07 CN claimed
CN-116283984-A Organic thermal delay fluorescent material based on di-tert-butylaniline donor and preparation method thereof 电子科技大学 2023-06-23 CN claimed
CN-114957240-A Preparation method and application of carbonyl closed-loop arylamine fluorescent compound 广东工业大学 2022-08-30 CN claimed
EP-1633364-B1 PROCESSES FOR THE PRODUCTION OF SILDENAFIL BASE AND CITRATE SALT TEVA PHARMA (IL) 2008-02-27 EP claimed
JP-2007517803-A 2007-07-05 JP claimed
EP-1779852-A2 Methods for the production of sildenafil base and citrate salt TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-05-02 EP claimed
EP-1633364-A2 METHODS FOR THE PRODUCTION OF SILDENAFIL BASE AND CITRATE SALT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-03-15 EP claimed
US-20050182066-A1 Methods for the production of sildenafil base and citrate salt TEVA PHARMACEUTICALS USA, INC. 2005-08-18 US claimed
WO-2005067936-A2 METHODS FOR THE PRODUCTION OF SILDENAFIL BASE AND CITRATE SALT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-07-28 WO claimed
CN-114685539-B Organic compound, application thereof and organic electroluminescent device using same Beijing Dingcai Technology Co.,Ltd. (CN) 2026-05-26 CN disclosed
EP-4731689-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
CN-116283984-B Organic thermal delay fluorescent material based on di-tert-butylaniline donor and preparation method thereof 电子科技大学 2026-03-03 CN disclosed
CN-116283984-B Organic thermal delay fluorescent material based on di-tert-butylaniline donor and preparation method thereof 电子科技大学 2026-03-03 CN disclosed
EP-0328206-A2 Method and materials to disperse solid particles in organic compounds Canestri, Giuseppe (IT) 1989-08-16 EP disclosed
US-4760184-A Reacting with alcohol, olefin or diolefin in presence of alkylating catalyst of larger microspores AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-07-26 US disclosed
US-4745223-A CHAIN EXTENDERS FOR POLYUREAS AND POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-05-17 US disclosed
US-4636574-A Process for preparing arylisothiocyanates ETHYL CORPORATION (US) 1987-01-13 US disclosed
EP-0177916-A1 Mono-tertiary-alkylated toluenediamine and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-16 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 (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-20050182066-A1 Methods for the production of sildenafil base and citrate salt PDE3A, PDE5A, PDE9A CA2 66/4885CYP3A4 377/4885TSHR 4770/4885

“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.