SCHEMBL22614880

SCHEMBL22614880

CC(=O)OCCC(C)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ EPHX1 P07099 3/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9786408 0.81 EPHX1 (0.36) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL27683439 0.81 ALOX15 (0.37) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL28955084 0.79 TDP1 (0.37) EPHX1ALDH1A1LMNATSHRCA12
SCHEMBL9893415 0.78 ALOX15 (0.35) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL8362002 0.77 ALOX15 (0.34) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
Cyclohexane SCHEMBL10780309 0.77 ALOX15 (0.48) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL459518 0.76 ALOX15 (0.42) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25303 0.76 ALOX15 (0.46) ALOX15CTSK
SCHEMBL9893489 0.76 ALOX15 (0.36) ALOX15EPHX1CHRNB2CHRNB4CHRNA3
Cyclohexane SCHEMBL10779862 0.75 ALOX15 (0.47) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 — — US disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 — — US disclosed
US-20230159853-A1 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2023-05-25 — — US disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 — — 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 (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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 ALOX15 514/4885EPHX1 1030/4885CHRNB2 263/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 ALOX15 514/4885EPHX1 1030/4885CHRNB2 263/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 ALOX15 514/4885EPHX1 1030/4885CHRNB2 263/4885

“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.

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