SCHEMBL3032173

SCHEMBL3032173

[CH2]CCCC(=O)c1ccc(OCC)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.81
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
PARP10 Q53GL7 1/20 0.54
MAPT P10636 4/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PLK1 P53350 1/20 0.51
RAB9A P51151 2/20 0.51
MMP1 P03956 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL11041909 0.90 NPC1 (0.74) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL19043463 0.85 NPC1 (0.83) NPC1L3MBTL1MMP1
SCHEMBL9657455 0.85 NPC1 (0.83) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL11041169 0.84 THRA (0.68) NPC1L3MBTL1TP53TSHRMMP1
SCHEMBL11825763 0.83 NPC1 (0.81) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL8098836 0.83 NPC1 (0.87) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL11263173 0.83 NPC1 (0.81) NPC1L3MBTL1
SCHEMBL7923674 0.83 NPC1 (0.81) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL20382633 0.82 NPC1 (0.78) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL4647638 0.81 KMT2A (0.54) NPC1L3MBTL1ALDH1A1LMNAPARP10

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 15 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-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 (4 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 NPC1 1029/4885L3MBTL1 502/4885ALDH1A1 565/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 NPC1 4037/4885L3MBTL1 2478/4885ALDH1A1 1814/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 NPC1 1397/4885L3MBTL1 533/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 NPC1 2588/4885L3MBTL1 1465/4885ALDH1A1 475/4885

“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.