SCHEMBL22643189

SCHEMBL22643189

Cc1ccc(OC(C)(C)CC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
LMNA P02545 1/20 0.41
WDR5 P61964 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 3/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARD Q03181 1/20 0.38
PPARG P37231 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL989698 0.84 PPARA (0.54) LMNAALDH1A1PPARAABCB11CYP1A2
SCHEMBL23605988 0.84 L3MBTL1 (0.49) LMNATRPM8ALDH1A1L3MBTL1PPARA
SCHEMBL23605972 0.81 MAPT (0.42) LMNATRPM8ALDH1A1L3MBTL1PPARA
SCHEMBL23605971 0.79 ABCB11 (0.46) LMNATRPM8ALDH1A1L3MBTL1PPARA
SCHEMBL12836589 0.77 PTPN7 (0.45) ALDH1A1PPARACYP1A2PPARDPPARG
SCHEMBL27493501 0.77 PARP10 (0.38) PARP10LMNAWDR5TRPM8ALDH1A1
SCHEMBL23605978 0.77 MAPT (0.40) LMNATRPM8ALDH1A1L3MBTL1PPARA
SCHEMBL27559203 0.76 ADORA3 (0.41) PARP10LMNAWDR5TRPM8L3MBTL1
SCHEMBL27559202 0.76 ADORA3 (0.41) PARP10LMNAWDR5TRPM8L3MBTL1
SCHEMBL3948925 0.76 PPARA (0.47) PARP10LMNAWDR5TRPM8PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 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-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA PARP10 1119/4885LMNA 680/4885WDR5 4861/4885

“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.