SCHEMBL19708299

SCHEMBL19708299

C[C@H](O)C(=O)OCC1CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL19695373 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL28742048 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL31412826 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL11336694 0.90 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL13174882 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL17616841 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19708297 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19695374 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL4583813 0.81 MAPK1 (0.40) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19695309 0.81 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1

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
CN-109310601-B Fragrance material 高砂香料工业株式会社 2022-05-24 — — CN claimed
CN-109310601-B Fragrance material 高砂香料工业株式会社 2022-05-24 — — CN 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
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 SMN1; SMN2 2478/4885KDM4E 414/4885ALDH1A1 297/4885

“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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