SCHEMBL127645

SCHEMBL127645

CCOC(=O)C1CCC(C)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TLR4 O00206 1/20 0.43
CYP2D6 P10635 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 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
SCHEMBL20263548 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20263549 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29595550 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29595708 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30412070 0.89 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20263551 0.87 PPM1B (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11676672 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5739433 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3196831 0.81 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4548466 0.80 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203382-B Novel organoleptic compounds 国际香料和香精公司 2022-03-04 CN claimed
US-10435645-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-10-08 US claimed
EP-3339278-B1 NOVEL ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2019-06-12 EP claimed
EP-3339278-A1 NOVEL ORGANOLEPTIC COMPOUNDS International Flavors & Fragrances Inc. (US) 2018-06-27 EP claimed
US-20180171263-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 US claimed
US-20250179396-A1 FRAGRANCE-CONTAINING GRANULES INT FLAVORS & FRAGRANCES INC (US) 2025-06-05 US disclosed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP disclosed
US-20250075151-A1 BIODEGRADABLE CHITOSAN MICROCAPSULES INT FLAVORS & FRAGRANCES INC (US) 2025-03-06 US disclosed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP disclosed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN disclosed
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 disclosed
US-20250019621-A1 AQUEOUS FABRIC CONDITIONER COMPOSITIONS WITH HIGH PERFORMANCE FRAGRANCES INT FLAVORS & FRAGRANCES INC (US) 2025-01-16 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998030609-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-16 WO disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed
EP-0810213-A2 Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds WITCO CORPORATION (US) 1997-12-03 EP disclosed
US-5498419-A SIDE EFFECT REDUCTION PARS HARRY G (US) 1996-03-12 US disclosed
WO-1995033429-A1 FUMARATE SALT OF 4-(DIETHYL-3-(1-METHYLOCTYL)- 7, 8, 9, 10-TETRAHYDRO-6, 6, 9-TRIMETHYL-6H-DIBENZO[B, D]PYRAN-1-OL, 4-(DIETHYL-AMINO)BUTYRIC ACID ESTER PARS HARRY G (US) 1995-12-14 WO disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 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 (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-20180171263-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 ALDH1A1 143/4885MAPT 2278/4885MEN1 2401/4885
US-10435645-B2 Organoleptic compounds TRPA1, TRPV1, TRPV5 ALDH1A1 141/4885MAPT 2357/4885MEN1 2626/4885

“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.