SCHEMBL598282

SCHEMBL598282

Cc1cccc(CC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
IDO1 P14902 2/20 0.50
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PNMT P11086 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
MAOB P27338 1/20 0.42
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8539519 0.85 GABRA1 (0.50) TAAR1GABRA1GABRB2PNMTSLC6A2
SCHEMBL2563917 0.84 PNMT (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL10249345 0.84 PNMT (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL29968153 0.84 PNMT (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL12136140 0.84 PNMT (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL24884040 0.84 TAAR1 (0.46) TAAR1IDO1ACHEALDH1A1CYP2D6
SCHEMBL8257853 0.83 TAAR1 (0.48) TAAR1IDO1ACHEALDH1A1CYP2D6
SCHEMBL19232414 0.83 TAAR1 (0.48) TAAR1IDO1ACHEALDH1A1CYP2D6
SCHEMBL14997302 0.83 TAAR1 (0.48) TAAR1IDO1ACHEALDH1A1CYP2D6
SCHEMBL22579846 0.83 TAAR1 (0.48) TAAR1IDO1ACHEALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4324810-A1 PROCESS FOR THE SYNTHESIS OF MIBT Vinati Organics Limited (IN) 2024-02-21 EP claimed
EP-3089956-B1 PROCESS GIVAUDAN SA (CH) 2019-08-07 EP claimed
EP-4046986-B1 METHOD FOR PRODUCING 2,4-DIALKYLBENZALDEHYDE MITSUBISHI GAS CHEMICAL CO (JP) 2026-03-11 EP disclosed
US-12145903-B2 Method for producing 2,4-dialkylbenzaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-11-19 US disclosed
US-20240279146-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-08-22 US disclosed
US-12024487-B2 Method for producing m-dialkylbenzaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-07-02 US disclosed
CN-114514217-B Process for producing 2, 4-dialkylbenzaldehyde 三菱瓦斯化学株式会社 2024-06-11 CN disclosed
CN-114127039-B Process for producing m-dialkylbenzaldehyde 三菱瓦斯化学株式会社 2024-05-28 CN disclosed
US-11987545-B2 2024-05-21 US disclosed
EP-3218341-B1 PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2024-05-01 EP disclosed
US-20240132434-A1 METHOD FOR PRODUCING 2,4-DIALKYLBENZALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-25 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-6489527-B1 Process for improving purity of para-xylene product OU JOHN DI-YI (US) 2002-12-03 US disclosed
EP-0646104-B1 PROCESS FOR IMPROVING PURITY OF $i(PARA)-XYLENE PRODUCT EXXON CHEMICAL PATENTS INC (US) 1996-10-09 EP disclosed
EP-0646104-A1 PROCESS FOR IMPROVING PURITY OF -i(PARA)-XYLENE PRODUCT. EXXON CHEMICAL PATENTS INC (US) 1995-04-05 EP disclosed
WO-1993024432-A1 PROCESS FOR IMPROVING PURITY OF PARA-XYLENE PRODUCT EXXON CHEMICAL PATENTS INC. (US) 1993-12-09 WO disclosed
US-3987150-A AMMONIUM CHLORIDE AND NITROGEN DIOXIDE ALLIED CHEMICAL CORPORATION (US) 1976-10-19 US disclosed
US-3941786-A Process for the production of 4-hydroxy-6-hydroxymethylpyrimidine LONZA LTD. (CH) 1976-03-02 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 (5 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-20240132434-A1 METHOD FOR PRODUCING 2,4-DIALKYLBENZALDEHYDE CBR1, AFF1, ALKBH1 TAAR1 752/4885IDO1 611/4885ACHE 4508/4885
US-20240279146-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION ADH1A, ADH1C, ADH5 TAAR1 633/4885IDO1 808/4885ACHE 1999/4885
US-11987545-B2 ME1, BDKRB1, DIMT1 TAAR1 130/4885IDO1 413/4885ACHE 4034/4885
US-12145903-B2 Method for producing 2,4-dialkylbenzaldehyde CBR1, AFF1, ALKBH1 TAAR1 752/4885IDO1 611/4885ACHE 4508/4885
US-12024487-B2 Method for producing m-dialkylbenzaldehyde ME1, DIMT1, ME3 TAAR1 185/4885IDO1 642/4885ACHE 3980/4885

“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.