SCHEMBL23901559

SCHEMBL23901559

CC(C)Nc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HCAR3 P49019 3/20 0.48
GRIN2D O15399 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
ABL1 P00519 1/20 0.47
PIM1 P11309 7/20 0.46
CSNK2A1 P68400 7/20 0.46
PIM2 Q9P1W9 5/20 0.46
PIM3 Q86V86 4/20 0.46
PIK3CD O00329 1/20 0.46
DYRK3 O43781 1/20 0.46
CDK2 P24941 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
GSK3B P49841 1/20 0.46
PTPN1 P18031 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL30780103 1.00 KDM4E (0.50) KDM4EHCAR3GRIN2DGRIN2AGRIN2B
SCHEMBL17631570 0.86 RAB9A (0.48) KDM4EABL1
SCHEMBL16742070 0.82 PIM1 (0.51) PIM1CSNK2A1PIM2PIM3PIK3CD
SCHEMBL1663456 0.81 HCAR3 (0.55) KDM4EHCAR3PIM3
SCHEMBL15226864 0.81 KDM4E (0.54) KDM4EPIM1CSNK2A1PIM3DYRK3
SCHEMBL26885120 0.80 ALDH1A1 (0.55) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9911523 0.79 ALDH1A1 (0.56) KDM4E
SCHEMBL30607064 0.79 ALDH1A1 (0.56) KDM4E
SCHEMBL26885174 0.77 KDM4E (0.56) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Methyl Alcohol SCHEMBL7181550 0.77 KDM4E (0.69) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 WO disclosed
CN-117105906-B Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof 烟台药物研究所 2024-01-30 CN disclosed
CN-117105906-A Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof 烟台药物研究所 2023-11-24 CN disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE KDM4E 4478/4885HCAR3 764/4885GRIN2D 4874/4885

“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.