SCHEMBL23927052

SCHEMBL23927052

CC(C)Oc1cc(O)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.45
AR P10275 2/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL22954098 0.82 ESR1 (0.39) ARESR1ESR2PGR
SCHEMBL2554271 0.80 AR (0.46) XDHAR
SCHEMBL1174828 0.79 AR (0.57) ARPGR
SCHEMBL23927017 0.79 XDH (0.42) XDHAR
SCHEMBL3770255 0.79 CYP11B1 (0.43) XDHAR
SCHEMBL29821611 0.78 XDH (0.42) XDHAR
SCHEMBL20659217 0.78 XDH (0.42) XDHAR
SCHEMBL3599842 0.77 CYP2D6 (0.53) XDHARPGR
SCHEMBL1872491 0.77 XDH (0.60) XDH
SCHEMBL4698005 0.76 CYP2D6 (0.41) XDHAR

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
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 XDH 3010/4885AR 3004/4885LDHA 2763/4885

“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.