SCHEMBL225022

SCHEMBL225022

CC(C)=CCCC1=C(C=O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL15845335 0.76 KMT2A (0.33) MEN1KMT2AALDH1A1PKMFNTA
SCHEMBL21609553 0.74 KMT2A (0.31) MEN1KMT2AALDH1A1PKMFNTA
SCHEMBL9446255 0.70 SCD (0.38) MEN1KMT2AALDH1A1TSHR
SCHEMBL16976827 0.70
SCHEMBL30492080 0.69 CA2 (0.32)
SCHEMBL17634359 0.69
SCHEMBL2697398 0.66
SCHEMBL28723462 0.66
SCHEMBL9444660 0.66 POLB (0.33)
SCHEMBL3380327 0.63 TRIM24 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP claimed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 WO claimed
EP-4106822-B1 COMPOSITION COMPRISING MICRO-ENCAPSULATED MALODOR CONTROL AGENTS AND THEIR USE FOR REDUCING MALODORS HENKEL AG & CO KGAA (DE) 2024-04-17 EP claimed
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
WO-2024051922-A1 A FRAGRANCE MIXTURE (III) SYMRISE AG (DE) 2024-03-14 WO claimed
WO-2024027922-A1 A FRAGRANCE MIXTURE (II) SYMRISE AG (DE) 2024-02-08 WO claimed
WO-2023232243-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 WO claimed
WO-2023147874-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-08-10 WO claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
EP-1660621-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-31 EP claimed
EP-0998911-B1 Fragrance releasing non-volatile polymeric siloxanes GEN ELECTRIC (US) 2006-05-17 EP claimed
WO-2005019400-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-03 WO claimed
US-6153578-A Fragrance releasing olefinic silanes GENERAL ELECTRIC COMPANY (US) 2000-11-28 US claimed
US-6077923-A CONTAINING GROUPS OF FRAGRANT ESTERS, KETONES, OR ALDEHYDES GENERAL ELECTRIC COMPANY (US) 2000-06-20 US claimed
US-6075111-A A POLYSILOXANE HAVING ONE OR MORE SUBSTITUENTS SELECTED FROM A FRAGRANT ALDEHYDE, KETONE OR ESTER GENERAL ELECTRIC COMPANY (US) 2000-06-13 US claimed
EP-0998911-A2 Fragrance releasing non-volatile polymeric siloxanes GENERAL ELECTRIC COMPANY (US) 2000-05-10 EP claimed
EP-0982313-A2 Fragrance releasing olefinic silanes GENERAL ELECTRIC COMPANY (US) 2000-03-01 EP 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 (1 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-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 MEN1 1277/4885KMT2A 3814/4885ALDH1A1 1201/4885

“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.