SCHEMBL29487262

SCHEMBL29487262

CC(C)c1ccc(C[C@@H](C)C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
TYR P14679 1/20 0.48
IDO1 P14902 2/20 0.44
ACACB O00763 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ESR1 P03372 2/20 0.40
ALB P02768 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40

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
SCHEMBL1148 1.00 TSHR (0.61) TSHRTP53TYRIDO1ACACB
P-Cymene SCHEMBL23296191 0.93 TP53 (0.54) TSHRTP53TYRIDO1ACACB
2-Methylpentanal SCHEMBL4778956 0.89 TSHR (0.51) TSHRTP53TYRIDO1ACACB
SCHEMBL2400864 0.89 TSHR (0.51) TSHRTP53TYRIDO1ACACB
SCHEMBL8343428 0.87 TSHR (0.49) TSHRTP53TYRIDO1ACACB
SCHEMBL16268509 0.87 TP53 (0.49) TSHRTP53TYRIDO1ACACB
SCHEMBL11479345 0.84 TSHR (0.58) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL112939 0.84 TSHR (0.58) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL17550074 0.83 TSHR (0.61) TSHRTP53ALDH1A1
SCHEMBL7621904 0.83 TP53 (0.61) TSHRTP53IDO1ACACBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 CN claimed
US-20240390246-A1 IMPROVED PERFUME COMPOSITIONS COMPRISING SULFUR-CONTAINING PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2024-11-28 US claimed
EP-4376799-A1 IMPROVED PERFUME COMPOSITIONS COMPRISING SULFUR-CONTAINING PRO-FRAGRANCE COMPOUNDS Firmenich SA (CH) 2024-06-05 EP claimed
WO-2023067072-A1 IMPROVED PERFUME COMPOSITIONS COMPRISING SULFUR-CONTAINING PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2023-04-27 WO claimed
CN-122028974-A Ribonucleic acid-based microcapsules 弗门尼舍有限公司 2026-05-12 CN disclosed
EP-4713129-A1 ORGANOSILICON-BASED MICROCAPSULES Firmenich SA (CH) 2026-03-25 EP disclosed
EP-4688246-A1 COACERVATE CORE-SHELL MICROCAPSULES Firmenich SA (CH) 2026-02-11 EP disclosed
EP-4651987-A1 MICROCAPSULES FROM POLYLACTONE BASED PREPOLYMER Firmenich SA (CH) 2025-11-26 EP disclosed
EP-4628168-A2 DENSITY BALANCED HIGH IMPACT PERFUME MICROCAPSULES Firmenich SA (CH) 2025-10-08 EP disclosed
EP-4608360-A1 ANTI-DANDRUFF COMPOSITIONS Firmenich SA (CH) 2025-09-03 EP disclosed
US-20250268804-A1 FRAGRANCE COMPOSITIONS FIRMENICH SA (CH) 2025-08-28 US disclosed
EP-4604741-A1 WAX-BASED MICROCAPSULES Firmenich SA (CH) 2025-08-27 EP disclosed
WO-2023067072-A1 IMPROVED PERFUME COMPOSITIONS COMPRISING SULFUR-CONTAINING PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2023-04-27 WO disclosed
WO-2023006533-A1 MICROCAPSULES HAVING A MINERAL LAYER FIRMENICH SA (CH) 2023-02-02 WO disclosed
WO-2022207526-A1 FUNCTIONALIZED CHITOSAN PREPARATION FIRMENICH SA (CH) 2022-10-06 WO disclosed
WO-2022207538-A1 CROSSLINKED CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2022-10-06 WO disclosed
WO-2022207525-A1 COATED CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2022-10-06 WO disclosed
WO-2022136007-A1 PROCESS FOR PREPARING POLYESTER MICROCAPSULES FIRMENICH SA (CH) 2022-06-30 WO disclosed
EP-3774017-B1 PROCESS FOR PREPARING POLYSUCCINIMIDE DERIVATIVES-BASED MICROCAPSULES FIRMENICH & CIE (CH) 2022-06-15 EP disclosed
WO-2022084437-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS FIRMENICH SA (CH) 2022-04-28 WO 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 (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-20240390246-A1 IMPROVED PERFUME COMPOSITIONS COMPRISING SULFUR-CONTAINING PRO-FRAGRANCE COMPOUNDS PHGDH, SORD, CTH TSHR 4844/4885TP53 1704/4885TYR 656/4885
US-20250268804-A1 FRAGRANCE COMPOSITIONS PLIN5, ELOVL5, ALOX5 TSHR 4858/4885TP53 752/4885TYR 1081/4885

“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.