SCHEMBL18952255

SCHEMBL18952255

CCOC(=O)C(C)C1(C)CCCC1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
UGT2B7 P16662 2/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL21457834 0.78 SLC1A2 (0.37) TSHR
SCHEMBL11294177 0.71 ALDH1A1 (0.33) ALDH1A1TRPM8KDM4ETDP1LMNA
SCHEMBL23092062 0.69 F10 (0.34) ALDH1A1KDM4ETDP1
SCHEMBL18952297 0.69 UGT2B7 (0.38) ALDH1A1TRPM8NPSR1L3MBTL1TSHR
SCHEMBL11616835 0.69 ALDH1A1 (0.38) ALDH1A1TRPM8NPSR1L3MBTL1UGT2B7
SCHEMBL18952219 0.69 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1TSHRUGT2B7CYP2D6
SCHEMBL1185736 0.68 ALDH1A1 (0.36) ALDH1A1NPSR1L3MBTL1KDM4ELMNA
SCHEMBL28723335 0.68 KDM4E (0.36) ALDH1A1KDM4ETDP1LMNA
SCHEMBL18952295 0.68 SMN1; SMN2 (0.33) ALDH1A1L3MBTL1TSHRKDM4ELMNA
SCHEMBL18952221 0.68 SMN1; SMN2 (0.36) ALDH1A1TSHRUGT2B7KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640460-B2 Substituted cyclopentyl- and cyclohexyl-derivatives useful for perfumery GIVAUDAN SA (CH) 2020-05-05 US claimed
EP-3386940-B1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2019-10-16 EP claimed
US-20180346412-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2018-12-06 US claimed
EP-3386940-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY Givaudan S.A. (CH) 2018-10-17 EP claimed
WO-2017097884-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2017-06-15 WO claimed
US-10640460-B2 Substituted cyclopentyl- and cyclohexyl-derivatives useful for perfumery GIVAUDAN SA (CH) 2020-05-05 US disclosed
EP-3386940-B1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2019-10-16 EP disclosed
US-20180346412-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2018-12-06 US disclosed
EP-3386940-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY Givaudan S.A. (CH) 2018-10-17 EP disclosed
WO-2017097884-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2017-06-15 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 (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-10640460-B2 Substituted cyclopentyl- and cyclohexyl-derivatives useful for perfumery C5, ACLY, CBR3 ALDH1A1 545/4885TRPM8 760/4885NPSR1 228/4885
US-20180346412-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY C5, ACLY, CBR3 ALDH1A1 545/4885TRPM8 760/4885NPSR1 228/4885

“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.