SCHEMBL9260258

SCHEMBL9260258

CCOC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.71
ALDH1A1 P00352 2/20 0.49
NFE2L2 Q16236 1/20 0.45
EPHX2 P34913 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
SOAT1 P35610 1/20 0.35

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
SCHEMBL6951123 0.93 ALOX15 (0.80) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL25990015 0.87 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL6951114 0.87 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL873576 0.87 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL21051954 0.87 ALOX15 (0.75) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL25990030 0.86 ALOX15 (0.69) ALOX15ALDH1A1NFE2L2EPHX2USP2
SCHEMBL25990054 0.83 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2EPHX2USP2
Citronellyl Acetate SCHEMBL20912959 0.83 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2EPHX2USP2
Citronellyl Acetate SCHEMBL157075 0.83 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2EPHX2USP2
Citronellyl Acetate SCHEMBL1866109 0.83 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2EPHX2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720936-B1 3,7-DIMETHYLOCT-6-EN-1-YL METHYL CARBONATE AS PERFUME INGREDIENT GIVAUDAN SA (CH) 2024-08-14 EP disclosed
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-07-27 US disclosed
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-07-27 US disclosed
US-20200369981-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-11-26 US disclosed
EP-3720936-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2020-10-14 EP disclosed
WO-2019110690-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-06-13 WO disclosed
US-5397689-A Hydroquinone compound to prevent fogging, fading and color mixing with good solubility and preservability FUJI PHOTO FILM CO., LTD. (JP) 1995-03-14 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 (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-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS CYP51A1, CYP17A1, CYP4A11 ALOX15 56/4885ALDH1A1 813/4885NFE2L2 3358/4885

“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.