SCHEMBL17592536

SCHEMBL17592536

CCC(C)CC1CCC(NC=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.50
▸ ADH1A P07327 4/20 0.50
▸ ADH1C P00326 3/20 0.42
▸ ADH7 P40394 2/20 0.42
▸ ADH4 P08319 1/20 0.41
▸ EPHX2 P34913 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL5655242 0.78 — —
SCHEMBL17592078 0.73 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL11686446 0.72 ADH1B (0.70) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592462 0.72 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592457 0.72 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592425 0.71 HPGD (0.32) CTSLCTSBCTSK
SCHEMBL19658308 0.71 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21997344 0.71 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL115609 0.71 — —
SCHEMBL17592325 0.70 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4

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
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 — — US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 — — EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 — — WO claimed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 — — US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 — — US disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 — — EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 — — 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-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP ADH1B 560/4885ADH1A 819/4885ADH1C 1285/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP ADH1B 561/4885ADH1A 957/4885ADH1C 1389/4885

“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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