SCHEMBL585772

SCHEMBL585772

CC(C)(C)c1cc(CC(=O)Cc2cc(C(C)(C)C)cc3c2CCC3(C)C)c2c(c1)C(C)(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.50
RXRG P48443 7/20 0.49
RXRB P28702 8/20 0.44
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL29403030 1.00 RXRA (0.50) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL29528253 0.90 RXRA (0.52) RXRARXRGRXRBELANECD69
SCHEMBL21518796 0.86 RXRA (0.48) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL28665083 0.85 RXRA (0.48) RXRARXRGRXRBCYP2C19
SCHEMBL1225260 0.80 RXRA (0.47) RXRARXRGRXRB
SCHEMBL29374183 0.78 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL112943 0.78 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL3633427 0.77 RXRA (0.65) RXRARXRGRXRB
Acetic Acid SCHEMBL8421363 0.75 RXRA (0.54) RXRARXRGRXRBCYP2C19CYP1A2
SCHEMBL8012309 0.75 RXRA (0.50) RXRARXRGRXRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN 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-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
US-12545851-B2 Fragrances with note of lily of the valley SYMRISE AG (DE) 2026-02-10 US disclosed
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
US-12441953-B2 Isomer mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2025-10-14 US disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
EP-3898910-B1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2025-09-03 EP disclosed
EP-3880777-B1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE SYMRISE AG (DE) 2025-06-25 EP disclosed
EP-1310240-A1 6-Alkylindane-1-ones as perfuming agents HAARMANN & REIMER GMBH (DE) 2003-05-14 EP disclosed
WO-2003038019-A1 MIXTURES FOR USE AS MUSK FRAGRANCE SYMRISE GMBH & CO. KG (DE) 2003-05-08 WO disclosed
WO-2003037841-A1 MIXTURES FOR USE AS MUSK FRAGRANCE SYMRISE GMBH & CO. KG (DE) 2003-05-08 WO 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
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

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 RXRA 812/4885RXRG 1457/4885RXRB 687/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A RXRA 1951/4885RXRG 2383/4885RXRB 1700/4885
US-12545851-B2 Fragrances with note of lily of the valley TRPA1, CDY1; CDY1B, TMEM109 RXRA 2278/4885RXRG 2509/4885RXRB 1933/4885

“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.