SCHEMBL3022399

SCHEMBL3022399

CCOc1cc(C=O)ccc1C(Cl)(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
TACR2 P21452 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FDPS P14324 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
DHFR P00374 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRIM24 O15164 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40

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
SCHEMBL3574138 0.84 ALDH1A1 (0.59) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL493684 0.79 ALDH1A1 (0.73) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL30159697 0.79 ALDH1A1 (0.73) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL1121447 0.78 ALDH1A1 (0.65) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL17059866 0.78 ALDH1A1 (0.65) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL3034400 0.76 ALDH1A1 (0.39) ALDH1A1TACR2HPGDTDP1MAPT
SCHEMBL4363481 0.76 ALDH1A1 (0.67) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL29956585 0.76 ALDH1A1 (0.67) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL20735240 0.76 ALDH1A1 (0.67) ALDH1A1TACR2L3MBTL1HPGDTDP1
SCHEMBL1121530 0.76 ALDH1A1 (0.67) ALDH1A1TACR2L3MBTL1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO 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 (5 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 565/4885TACR2 853/4885L3MBTL1 502/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 2295/4885TACR2 1076/4885L3MBTL1 2115/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 1814/4885TACR2 976/4885L3MBTL1 2478/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885TACR2 2359/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885TACR2 1422/4885L3MBTL1 1465/4885

“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.