SCHEMBL3031607

SCHEMBL3031607

NCCCCCC1CC[CH]CCCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
RAD52 P43351 1/20 0.39
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL3031909 0.98 SIGMAR1 (0.71) SIGMAR1RAD52CYP1A2POLBHTR1A
SCHEMBL3027401 0.98 SIGMAR1 (0.71) SIGMAR1RAD52CYP1A2POLBHTR1A
SCHEMBL3026105 0.90 SIGMAR1 (0.61) SIGMAR1RAD52
SCHEMBL9294556 0.89 SIGMAR1 (0.62) SIGMAR1RAD52CYP1A2POLBHTR1A
SCHEMBL2428510 0.88 SIGMAR1 (0.58) SIGMAR1RAD52CYP1A2POLB
SCHEMBL3030329 0.87 SIGMAR1 (0.59) SIGMAR1RAD52CYP1A2POLBHTR1A
SCHEMBL3036430 0.85 SIGMAR1 (0.62) SIGMAR1RAD52CYP1A2POLBHTR1A
SCHEMBL8781979 0.84 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL22857735 0.84 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL3959390 0.84 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA

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 SIGMAR1 52/4885RAD52 3502/4885CYP1A2 79/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SIGMAR1 549/4885RAD52 4756/4885CYP1A2 3133/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SIGMAR1 683/4885RAD52 4830/4885CYP1A2 2665/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SIGMAR1 21/4885RAD52 2568/4885CYP1A2 979/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SIGMAR1 136/4885RAD52 1721/4885CYP1A2 100/4885

“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.