Sugi Predict

Sugi Predict / Compounds / SCHEMBL779665

SCHEMBL779665

SCHEMBL779665

CC(C=O)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ HTR2A P28223 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ BCHE P06276 5/20 0.39
▸ BACE1 P56817 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 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
SCHEMBL30600480 1.00 TP53 (0.65) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL27887086 0.87 TP53 (0.53) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL14535006 0.85 HTR2A (0.66) TP53TSHRHTR2AHTR2BHTR2C
Benzene SCHEMBL28938992 0.79 TP53 (0.93) TP53TSHRSIGMAR1MAPTBCHE
SCHEMBL13453994 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL16880397 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL81866 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL1654191 0.79 TP53 (0.49) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL4445053 0.77 HTR2A (0.50) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL10636154 0.77 HTR2A (0.50) TP53TSHRHTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4516118-A2 USE OF AMBOCENIDE® FOR REINFORCING A LILY OF THE VALLEY NOTE Symrise AG (DE) 2025-03-05 — — EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 — — EP claimed
US-20200239810-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT SYMRISE AG (DE) 2020-07-30 — — US claimed
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 — — EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 — — EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 — — EP claimed
CN-111108100-A Use of Diwang ambergris for enhancing the Convallaria tone 西姆莱斯有限公司 2020-05-05 — — CN claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 — — US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 — — US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 — — US claimed
US-8614358-B2 Process for preparing 2-methyl-3-(4-tert-butylphenyl)propanal with high para-isomer purity BASF SE (DE) 2013-12-24 — — US claimed
EP-2638136-A1 FRAGRANCE COMPOSITIONS COMPRISING SPECIAL MIXTURES OF DIASTEREOMERS OF 2-ISOBUTYL-4-METHYL-TETRAHYDRO-2H-PYRAN-4-OL BASF SE (DE) 2013-09-18 — — EP claimed
US-20130230476-A1 Fragrance Compositions Comprising Special Mixtures of Diastereomers of 2-Isobutyl-4-Methyl-Tetrahydro-2H-Pyran-4-OL BASF SE (DE) 2013-09-05 — — US claimed
CN-103282475-A Fragrance compositions comprising special mixtures of diastereomers of 2-sobutyl-4-methyl-tetrahydro-2h-pyran-4-ol BASF SE 2013-09-04 — — CN claimed
EP-2616424-A1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2013-07-24 — — EP claimed
CN-103119014-A Method for producing 2-methyl-3-(4-tert-butylphenyl)-propanal having high para-isomer purity BASF SE 2013-05-22 — — CN claimed
WO-2012062771-A1 FRAGRANCE COMPOSITIONS COMPRISING SPECIAL MIXTURES OF DIASTEREOMERS OF 2-ISOBUTYL-4-METHYL-TETRAHYDRO-2H-PYRAN-4-OL BASF SE (DE) 2012-05-18 — — WO claimed
WO-2012034930-A1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 — — WO claimed
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 — — US claimed
WO-2010091969-A1 LILY OF THE VALLEY-TYPE FRAGRANCE COMPOSITIONS BASF SE (DE) 2010-08-19 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200239810-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT OR51E2, OR10J3, ALG3 TP53 3921/4885TSHR 3217/4885HTR2A 859/4885
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY HPD, PAH, PTMA TP53 1832/4885TSHR 2594/4885HTR2A 2021/4885

“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.