SCHEMBL3033897

SCHEMBL3033897

O=Cc1ccc(CCCCC(Br)CBr)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 1/20 0.33
TYR P14679 1/20 0.32
CYP2A6 P11509 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
ALDH1A3 P47895 2/20 0.31
ALDH3A1 P30838 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL3021509 0.81 TYR (0.41) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3022935 0.81 THRA (0.32) ALDH1A1
SCHEMBL28324720 0.78 CDK1 (0.48) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3022937 0.77 ESR1 (0.48) ALDH1A1LMNAHSD17B10
SCHEMBL17906175 0.77 THRA (0.44) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3033896 0.77 FFAR1 (0.32) HSD17B10
SCHEMBL3264330 0.76 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10766210 0.76 HIF1A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15452989 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3034877 0.74

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 565/4885LMNA 2721/4885MAPT 4315/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 2295/4885LMNA 4742/4885MAPT 4294/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 1814/4885LMNA 4683/4885MAPT 4610/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885LMNA 4340/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885LMNA 1091/4885MAPT 4163/4885

“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.