SCHEMBL586805

SCHEMBL586805

CC(C)(CO)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
ACP3 P15309 2/20 0.40
HSD17B10 Q99714 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
PPARG P37231 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
SCHEMBL21802565 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL2522149 0.82 TSHR (0.44) ALDH1A1CYP1A2KDM4ETSHRTDP1
SCHEMBL2127614 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL7853160 0.79 TAAR1 (0.48) ALDH1A1CYP1A2CYP2A6HSD17B10KDM4E
SCHEMBL10804024 0.79 CYP1A2 (0.41) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL29380144 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL547819 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL8955099 0.78 KDM4E (0.38) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL4818310 0.78 KIF11 (0.48) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10
SCHEMBL29972825 0.78 KIF11 (0.48) ALDH1A1CYP1A2CYP2A6ACP3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon SYMRISE AG (DE) 2026-03-17 US disclosed
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
EP-4006130-B1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2025-04-09 EP disclosed
EP-3969163-B1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP disclosed
EP-3924102-B1 METHOD FOR PRODUCING MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP disclosed
US-12103935-B2 Seco-ambraketals SYMRISE AG (DE) 2024-10-01 US disclosed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP disclosed
EP-1310240-A1 6-Alkylindane-1-ones as perfuming agents HAARMANN & REIMER GMBH (DE) 2003-05-14 EP disclosed
EP-1285907-A2 Compositions for the controlled release of an aldehyde together with two carboxylic acids HAARMANN & REIMER GMBH (DE) 2003-02-26 EP disclosed
EP-1285906-A2 Compositions for the controlled release of an aldehyde or ketone, an alcohol and a carboxylic acid HAARMANN & REIMER GMBH (DE) 2003-02-26 EP disclosed
WO-2002076605-A1 METHOD FOR PRODUCING ENCAPSULATIONS SYMRISE GMBH & CO. KG (DE) 2002-10-03 WO disclosed
EP-1220850-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2002-07-10 EP disclosed
EP-1215189-A1 Process for the preparation of isolongifolanol HAARMANN & REIMER GMBH (DE) 2002-06-19 EP disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
WO-2001023373-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2001-04-05 WO disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 EP disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP 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 (3 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-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon ALG3, FAAH, FAAH2 ALDH1A1 53/4885CYP1A2 391/4885CYP2A6 809/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A ALDH1A1 132/4885CYP1A2 139/4885CYP2A6 262/4885
US-12103935-B2 Seco-ambraketals AREG, CUTA, TAAR5 ALDH1A1 1626/4885CYP1A2 504/4885CYP2A6 405/4885

“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.