SCHEMBL8912112

SCHEMBL8912112

CCOC(=O)CN(C)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
TP53 P04637 1/20 0.44
GPX4 P36969 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.43
POLQ O75417 1/20 0.42
HCRTR2 O43614 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL22400033 0.86 HSD17B1 (0.43) ALDH1A1RAB9ANPC1PAX8KMT2A
SCHEMBL30880030 0.85 MAPT (0.44) ALDH1A1NPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3168456 0.85 MAPT (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10787316 0.84 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1PAX8KMT2A
SCHEMBL10011062 0.84 MTNR1A (0.55) ALDH1A1LMNAMAPK1MAPTHSD17B1
SCHEMBL557889 0.83 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1120517 0.83 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL10785745 0.82 RAB9A (0.45) ALDH1A1RAB9ANPC1PAX8KMT2A
Hydrochloric Acid SCHEMBL7150239 0.82 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL10194297 0.82 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1PAX8TP53

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
CN-117736104-A Method for synthesizing butanedicarboxylate derivative by visible light catalysis 常州大学 2024-03-22 CN disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885RAB9A 2782/4885NPC1 1029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885RAB9A 2323/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885RAB9A 3123/4885NPC1 2588/4885

“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.