SCHEMBL19695309

SCHEMBL19695309

CC(C)OC(=O)OCC1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL19695374 0.85 SMN1; SMN2 (0.41) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL17601883 0.85 MAPK1 (0.42) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL11336694 0.83 KDM4E (0.42) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19695386 0.83 ALDH1A1 (0.40) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL17616823 0.82 MAPK1 (0.40) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19708299 0.81 SMN1; SMN2 (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL31412826 0.81 SMN1; SMN2 (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19695373 0.81 SMN1; SMN2 (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL28742048 0.81 SMN1; SMN2 (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19695346 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153354-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-23 — — US claimed
EP-3468526-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 — — EP claimed
WO-2017214455-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 — — WO claimed
CN-109310601-B Fragrance material 高砂香料工业株式会社 2022-05-24 — — CN disclosed
EP-3468526-B1 FRAGRANCE MATERIAL TAKASAGO PERFUMERY CO LTD (JP) 2021-05-12 — — EP disclosed
US-10745646-B2 Fragrance material TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-08-18 — — US disclosed
US-10745646-B2 Fragrance material TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-08-18 — — US disclosed
US-20190153354-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-23 — — US disclosed
US-20190153354-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-23 — — US disclosed
EP-3468526-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 — — EP disclosed
WO-2017214455-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 — — WO disclosed
WO-2017214455-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 — — WO 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-10745646-B2 Fragrance material TRPA1, TRPV1, NISCH KDM4E 414/4885ALDH1A1 297/4885TDP1 4335/4885

“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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