SCHEMBL8914838

SCHEMBL8914838

CCN(CC(=O)OCc1ccccc1)c1ccc(C)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ SLC16A3 O15427 1/20 0.40
▸ SLC16A1 P53985 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APP P05067 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
SCHEMBL10788300 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1NPSR1GFER
SCHEMBL14065110 0.75 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1NPSR1GFER
SCHEMBL4533147 0.74 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1PPARGKMT2A
SCHEMBL13645009 0.74 KEAP1 (0.50) ALDH1A1MAPTMAPK1PPARGL3MBTL1
SCHEMBL28480949 0.74 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL16318959 0.73 TSPO (0.49) ALDH1A1KMT2AL3MBTL1NOX1LMNA
SCHEMBL9168493 0.73 PLA2G2A (0.44) ALDH1A1MAPTMAPK1PPARGKMT2A
SCHEMBL13603920 0.72 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1KMT2AL3MBTL1
SCHEMBL13603924 0.72 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KMT2AL3MBTL1
SCHEMBL9164868 0.71 ALOX15 (0.49) ALDH1A1MAPK1KMT2AL3MBTL1HPGD

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
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

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 565/4885MAPT 4315/4885MAPK1 1289/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885MAPT 4866/4885MAPK1 219/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885MAPT 4163/4885MAPK1 2765/4885

“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.

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