SCHEMBL3143541

SCHEMBL3143541

COC(=O)CCN(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NOX1 Q9Y5S8 2/20 0.56
EGFR P00533 2/20 0.55
LTA4H P09960 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX5 P09917 2/20 0.52
MAOB P27338 2/20 0.52
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
PTPN1 P18031 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL9191054 0.83 KMT2A (0.50) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL1745408 0.80 FFAR1 (0.54) ALDH1A1ALOX5MAOBLTB4RLTB4R2
SCHEMBL1745247 0.79 FFAR1 (0.72) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9235297 0.79 MAOB (0.61) ALDH1A1NOX1EGFRALOX5MAOB
SCHEMBL11563340 0.79 MAOB (0.60) ALDH1A1NOX1EGFRALOX5MAOB
SCHEMBL1747136 0.79 FFAR1 (0.72) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL3142548 0.78 KMT2A (0.48) ALDH1A1NPC1SMN1; SMN2
SCHEMBL22542479 0.78 NOX1 (0.51) ALDH1A1NOX1EGFRLTA4HNPC1
SCHEMBL10907581 0.77 LTA4H (0.48) ALDH1A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL810045 0.77 RAB9A (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MAOB

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 9 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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP 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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 565/4885NOX1 15/4885EGFR 685/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885NOX1 11/4885EGFR 64/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885NOX1 105/4885EGFR 699/4885

“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.