SCHEMBL443868

SCHEMBL443868

CCCC1CCC(C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.33
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
LMNA P02545 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
SCHEMBL10082817 0.88 CYP1A2 (0.36) TLR4CYP1A2
SCHEMBL572011 0.86 CYP1A2 (0.42) CYP1A2
SCHEMBL8201032 0.84 KMT2A (0.40) NPC1RAB9A
SCHEMBL3477821 0.83 TLR4 (0.35) TLR4LMNA
SCHEMBL12835081 0.82 TLR4 (0.33) TLR4
SCHEMBL2691050 0.79
SCHEMBL6907548 0.77 TLR4 (0.34) TLR4
SCHEMBL13091313 0.76 MAPT (0.30) CYP1A2
Acetic Acid SCHEMBL9521345 0.75 LMNA (0.34) TLR4LMNA
SCHEMBL6869112 0.73 METAP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
US-20240239994-A1 COMPOSITIONS TO LIMIT, REDUCE OR ELIMINATE MALODOURS ASSOCIATED WITH PLASTIC MATERIALS FIRMENICH SA (CH) 2024-07-18 US claimed
EP-4319716-A1 COMPOSITIONS TO LIMIT, REDUCE OR ELIMINATE MALODOURS ASSOCIATED WITH PLASTIC MATERIALS Firmenich SA (CH) 2024-02-14 EP claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2023-03-23 US claimed
WO-2022253712-A1 COMPOSITIONS TO LIMIT, REDUCE OR ELIMINATE MALODOURS ASSOCIATED WITH PLASTIC MATERIALS FIRMENICH SA (CH) 2022-12-08 WO claimed
EP-4084769-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT Firmenich SA (CH) 2022-11-09 EP claimed
US-11364184-B2 Perfume compositions GIVAUDAN SA (CH) 2022-06-21 US claimed
WO-2021214205-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2021-10-28 WO claimed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP claimed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO claimed
WO-2010064239-A1 APPARATUS AND METHODS FOR DIAGNOSING RENAL DISORDERS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-06-10 WO claimed
EP-1599181-A1 IMPROVEMENTS IN OR RELATING TO FLAVOUR COMPOSITIONS Quest International Services B.V. (NL) 2005-11-30 EP claimed
WO-2004073668-A1 IMPROVEMENTS IN OR RELATING TO FLAVOUR COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-09-02 WO claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
EP-0878497-A2 Fragrance precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-11-18 EP claimed
WO-2026087780-A1 CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2026-04-30 WO disclosed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP disclosed
EP-0878497-A2 Fragrance precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-11-18 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 (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-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT PORCN, FAAH2, FASN TLR4 2339/4885CYP1A2 153/4885NPC1 2429/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 TLR4 4496/4885CYP1A2 2234/4885NPC1 2638/4885

“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.