SCHEMBL15216876

SCHEMBL15216876

CC(C)C1CN(C)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES1 P23141 2/20 0.37
TTR P02766 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 2/20 0.36
RAF1 P04049 1/20 0.35
ALOX12 P18054 1/20 0.35
MAP2K1 Q02750 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL10346127 0.80 ADRA2A (0.33) EGFRMAPTMAPK1LMNAKMT2A
SCHEMBL10352922 0.77 ACHE (0.47) ALDH1A1KDM4EHPGDGLAALOX15
SCHEMBL30835555 0.77 ACHE (0.47) ALDH1A1KDM4EHPGDGLAALOX15
SCHEMBL19047042 0.75 SLC6A2 (0.39) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL19047039 0.75 SLC6A2 (0.39) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL16079966 0.75 SLC6A2 (0.39) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL13312161 0.73 GAA (0.46) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL9028941 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTGLA
SCHEMBL14408829 0.71 ACHE (0.44) ALDH1A1KDM4EHPGDEGFRMAPT
Anthraquinone SCHEMBL28092013 0.69 KMT2A (0.41) ALDH1A1KDM4EEGFRMAPTMAPK1

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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A ALDH1A1 2796/4885KDM4E 3382/4885HPGD 2207/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 ALDH1A1 2566/4885KDM4E 3807/4885HPGD 1454/4885

“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.