SCHEMBL23036801

SCHEMBL23036801

CC(C)CC(=O)OCCC(C)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.40
▸ PRKCA P17252 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33

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
SCHEMBL23036805 0.92 ALOX15 (0.44) ALOX15PRKCAMMP1MMP2MMP3
SCHEMBL21143367 0.84 ADRA2A (0.43) ALOX15CYP19A1ALDH1A1CHRNB2CHRNB4
SCHEMBL21143391 0.84 ALOX15 (0.42) ALOX15CYP19A1ALDH1A1CHRNB2CHRNB4
SCHEMBL3859719 0.83 BLM (0.48) ALOX15MMP1MMP2MMP3MMP9
SCHEMBL3508684 0.82 MMP1 (0.37) ALOX15PRKCAMMP1MMP2MMP3
SCHEMBL901332 0.81 CYP19A1 (0.49) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL2529389 0.81 MMP1 (0.42) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL113763 0.81 CYP19A1 (0.49) PRKCAMMP1MMP2MMP3MMP9
3-Hydroxybutyric Acid, (+/-)- SCHEMBL21313284 0.81 ALOX15 (0.35) ALOX15CYP19A1ALDH1A1CHRNB2CHRNB4
SCHEMBL21143373 0.81 DGKA (0.42) ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-07-29 — — US claimed
EP-3784762-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-03-03 — — EP claimed
EP-3784762-B1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2025-09-03 — — EP disclosed
US-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-07-29 — — US disclosed
EP-3784762-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-03-03 — — 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 (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-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL FFAR3, ELOVL3, ACMSD ALOX15 74/4885PRKCA 3009/4885MMP1 4857/4885

“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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