SCHEMBL96262

SCHEMBL96262

CC(C=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
TP53 P04637 2/20 0.53
GRIA4 P48058 4/20 0.43
NR1H4 Q96RI1 2/20 0.41
LMNA P02545 3/20 0.40
TYR P14679 1/20 0.39
CYP1A2 P05177 2/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 4/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL30145350 0.98 TSHR (0.52) TSHRTP53GRIA4NR1H4LMNA
Methane SCHEMBL10638817 0.98 TSHR (0.52) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL30633860 0.87 TSHR (0.46) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL28073632 0.83 TSHR (0.46) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL21628043 0.83 TYR (0.46) TSHRTP53TYRKDM4EMAPK1
SCHEMBL2702140 0.81 PDE2A (0.46) CYP1A2AKR1C3AKR1C2CYP3A4
SCHEMBL31572115 0.80 TP53 (0.36) TSHRTP53TYRALDH1A1CYP2D6
SCHEMBL5803511 0.79 TSHR (0.50) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL9006590 0.79 TSHR (0.50) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL21177011 0.79 TP53 (0.42) TSHRTP53GRIA4LMNAAKR1C3

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 265 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
CN-118061742-A Vehicle-mounted fragrance and preparation method thereof 广州汽车集团股份有限公司 2024-05-24 CN claimed
CN-117982698-A Vehicle-mounted fragrance and preparation method thereof 广州汽车集团股份有限公司 2024-05-07 CN claimed
CN-112479842-B Preparation method of 4-tert-butyl benzene propionaldehyde 西安凯立新材料股份有限公司 2024-02-23 CN claimed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN claimed
EP-4229165-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-23 EP claimed
WO-2022129351-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO claimed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN claimed
CN-107954843-B Method for synthesizing p-tert-butyl benzene propionaldehyde 昆山亚香香料股份有限公司 2022-04-19 CN claimed
CN-112266821-A Essence for grain germ laundry detergent 厦门馨米兰香精香料有限公司 2021-01-26 CN 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
CN-110662562-A Odor reduction in air care applications 阿吉莱克斯香料和香水公司 2020-01-07 CN claimed
CN-103958047-B Microcapsules and their use 弗门尼舍有限公司 2017-03-01 CN claimed
CN-103958047-A Microcapsules and their use FIRMENICH & CIE 2014-07-30 CN claimed
CN-103874675-A Process for the preparation of methoxymelonal GIVAUDAN SA 2014-06-18 CN 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
US-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US claimed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP claimed
US-20080233056-A1 ORGANOLEPTIC COMPOUNDS WITH ENHANCED PROPERTIES ZYMES, LLC (US) 2008-09-25 US claimed
WO-2008116021-A1 ORGANOLEPTIC COMPOUNDS WITH ENHANCED PROPERTIES ZYMES, LLC (US) 2008-09-25 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-20100256421-A1 Propanal Production Methods ALDH2, ALDH1A3, TERT TSHR 2104/4885TP53 1119/4885GRIA4 4620/4885
US-20080233056-A1 ORGANOLEPTIC COMPOUNDS WITH ENHANCED PROPERTIES SQLE, COQ8B, COQ8A TSHR 4328/4885TP53 3987/4885GRIA4 3610/4885

“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.