SCHEMBL272274

SCHEMBL272274

CC1=CCCC2(C)OC2CCC(C)=CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
NLRP3 Q96P20 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP1A2 P05177 2/20 0.46
STAT6 P42226 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
CASP1 P29466 1/20 0.46
PTGS2 P35354 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL4615726 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL272273 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL16268553 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL3676278 0.96 CYP3A4 (0.48) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL3676277 0.96 CYP3A4 (0.48) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL23234194 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630691 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630684 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL21802956 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630687 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
US-20240173230-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-05-30 US claimed
US-20230151305-A1 FRAGRANCE COMPOSITION SA, GIVAUDAN (CH) 2023-05-18 US claimed
EP-4146778-A1 FRAGRANCE COMPOSITION Givaudan SA (CH) 2023-03-15 EP claimed
CN-115551986-A Fragrance composition 奇华顿股份有限公司 2022-12-30 CN claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160090557-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049395-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049404-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20100247475-A1 BETA-GLUCURONIDASE INHIBITOR KAO CORPORATION (JP) 2010-09-30 US claimed
EP-2192178-A1 B-GLUCURONIDASE INHIBITOR Kao Corporation (JP) 2010-06-02 EP claimed
WO-1998056337-A1 MALODOR REDUCING COMPOSITION CONTAINING AMBER AND MUSK MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed

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-12559703-B2 Fragrance composition DHCR24, OPRD1, OR10J3 CYP3A4 212/4885ALDH1A1 205/4885LMNA 1900/4885
US-20100247475-A1 BETA-GLUCURONIDASE INHIBITOR GUSB, GAA, GANAB CYP3A4 318/4885ALDH1A1 28/4885LMNA 3810/4885
US-20240173230-A1 FRAGRANCE COMPOSITION FABP2, FABP5, FAAH2 CYP3A4 388/4885ALDH1A1 413/4885LMNA 4339/4885

“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.