SCHEMBL3023195

SCHEMBL3023195

[CH2]CCCCC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ STS P08842 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B3 P37058 3/20 0.42

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
SCHEMBL11042704 0.98 MAPT (0.53) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL19043416 0.86 PARP10 (0.62) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL27663748 0.86 HSD17B3 (0.60) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL13492946 0.86 ALDH1A1 (0.56) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL17937297 0.84 PARP10 (0.60) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL7925884 0.84 STS (0.59) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL8099617 0.83 PARP10 (0.62) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL3089332 0.83 PDE4B (0.69) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL19043215 0.83 PARP10 (0.57) TP53ALDH1A1MAPTTHRBHTT
SCHEMBL19043301 0.82 ALDH1A1 (0.52) TP53ALDH1A1MAPTTHRBHTT

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 TP53 3463/4885ALDH1A1 565/4885MAPT 4315/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TP53 846/4885ALDH1A1 2295/4885MAPT 4294/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TP53 1366/4885ALDH1A1 1814/4885MAPT 4610/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TP53 86/4885ALDH1A1 265/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TP53 2740/4885ALDH1A1 475/4885MAPT 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.

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