SCHEMBL23319670

SCHEMBL23319670

CC(O)(CC1CC=CCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.40
ALDH1A1 P00352 8/20 0.40
TDP1 Q9NUW8 3/20 0.40
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TET2 Q6N021 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1524655 0.78 KDM4E (0.35) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL16370142 0.76 THRA (0.44) ALDH1A1TDP1CYP2D6CYP2C19TET2
SCHEMBL16369954 0.76 THRA (0.44) ALDH1A1TDP1CYP2D6CYP2C19TET2
SCHEMBL9926596 0.75 KDM4E (0.33) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL5803165 0.73 KDM4E (0.33) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL31094629 0.73 KDM4E (0.33) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL1711877 0.72 GRM2 (0.43) ALDH1A1CYP1A2CYP2D6HSD17B10TET2
SCHEMBL1711870 0.72 GRM2 (0.43) ALDH1A1CYP1A2CYP2D6HSD17B10TET2
Acetic Acid SCHEMBL4904233 0.72 KDM4E (0.43) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL8634708 0.71 KDM4E (0.34) KDM4EALDH1A1TDP1PKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468526-B1 FRAGRANCE MATERIAL TAKASAGO PERFUMERY CO LTD (JP) 2021-05-12 EP claimed
US-12114681-B2 Fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-10-15 US disclosed
CN-112638892-B Perfume materials 高砂香料工业株式会社 2023-11-21 CN disclosed
US-11236288-B2 Fragrance materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-01 US disclosed
US-20210230504-A1 FRAGRANCE MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-29 US disclosed
US-20210227864-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-29 US disclosed
CN-112638892-A Fragrance material 高砂香料工业株式会社 2021-04-09 CN disclosed
CN-112368256-A Perfume and fragrance materials 高砂香料工业株式会社 2021-02-12 CN 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-11236288-B2 Fragrance materials NISCH, TRPA1, FAAH2 KDM4E 2333/4885ALDH1A1 229/4885TDP1 4075/4885
US-20210230504-A1 FRAGRANCE MATERIALS NISCH, TRPA1, FAAH2 KDM4E 2333/4885ALDH1A1 229/4885TDP1 4075/4885

“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.