SCHEMBL29529322

SCHEMBL29529322

Cc1ccc2c(c1)OC=CCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP12 P39900 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
ADRA2A P08913 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
CASP1 P29466 2/20 0.33
HBB P68871 2/20 0.33
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX12 P18054 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL1092033 1.00 ALDH1A1 (0.37) ALDH1A1MAPTGAAHSD17B10MMP12
SCHEMBL12482146 0.80 ALDH1A1 (0.39) ALDH1A1MAPTGAAHSD17B10MMP12
SCHEMBL7812307 0.78 SMN1; SMN2 (0.38) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL9038874 0.77 CYP2A6 (0.39) ALDH1A1MAPTGAAHSD17B10MMP12
SCHEMBL30492616 0.77 CYP19A1 (0.35) ALDH1A1MAPTHSD17B10RAB9AMEN1
SCHEMBL4445350 0.75 ALDH1A1 (0.41) ALDH1A1MAPTGAAHSD17B10MMP12
SCHEMBL11757399 0.73 CYP3A4 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL7812309 0.73 MAPT (0.37) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL2263211 0.73 SMN1; SMN2 (0.46) GAAKDM4ESMN1; SMN2HTTLMNA
SCHEMBL28332195 0.71 SMN1; SMN2 (0.44) GAASMN1; SMN2HTTLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient BASF SE (DE) 2025-06-24 US disclosed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
WO-2025056470-A1 AQUEOUS-BASED PERFUME COMPOSITION JAFER ENTERPRISES R&D SL (ES) 2025-03-20 WO disclosed
WO-2024213455-A1 USE OF A COMPOSITION, IN PARTICULAR A FRAGRANCING COMPOSITION, COMPRISING DIETHYL SUCCINATE AND A TERTIARY AMINE JAFER ENTERPRISES R&D SL. (ES) 2024-10-17 WO disclosed
EP-3737234-B9 SOLID POLYMERIC MATERIAL IMPREGNATED WITH A VOLATILE ORGANIC SUBSTANCE AND A SPECIFIC ESTER AND USES OF SAME JAFER ENTPR R&D SL (ES) 2024-08-14 EP disclosed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
EP-3737234-B1 SOLID POLYMERIC MATERIAL IMPREGNATED WITH A VOLATILE ORGANIC SUBSTANCE AND A SPECIFIC ESTER AND USES OF SAME JAFER ENTPR R&D SL (ES) 2023-08-23 EP disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
US-11684689-B2 Solid polymeric material impregnated with a volatile organic substance and a specific ester and uses of same JAFER ENTERPRISES R&D SL (ES) 2023-06-27 US disclosed
US-11639484-B2 Perfume compositions GIVAUDAN SA (CH) 2023-05-02 US disclosed
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-09-08 US disclosed
WO-2022101479-A1 DEODORISING OR FRAGRANCING COMPOSITION COMPRISING AN ORGANIC SUBSTANCE AND A SOLVENT COMPRISING DIETHYL SUCCINATE AND DIISOPROPYL SUCCINATE JAFER ENTERPRISES R&D SL (ES) 2022-05-19 WO disclosed
US-11334695-B2 Antiperspirant and deodorant compositions comprising malodor reduction compositions THE PROCTER & GAMBLE COMPANY (US) 2022-05-17 US disclosed
US-11334694-B2 Personal care compositions comprising malodor reduction compositions THE PROCTER & GAMBLE COMPANY (US) 2022-05-17 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 (4 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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 ALDH1A1 831/4885MAPT 2487/4885GAA 993/4885
US-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient DRD4, HTR5A, HTR4 ALDH1A1 503/4885MAPT 861/4885GAA 4197/4885
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT DRD4, HTR5A, HTR4 ALDH1A1 503/4885MAPT 861/4885GAA 4197/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 ALDH1A1 831/4885MAPT 2487/4885GAA 993/4885

“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.