SCHEMBL3033625

SCHEMBL3033625

C[CH]c1cccc(C(=O)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
UNG P13051 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
TTR P02766 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8580569 0.87 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL9720583 0.84 TDP1 (0.46) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL10389972 0.82 SMN1; SMN2 (0.54) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL4667605 0.80 ALDH1A1 (0.57) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19889497 0.80 ALDH1A1 (0.42) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL4667601 0.80 ALDH1A1 (0.57) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2954366 0.79 UNG (0.68) MAPTL3MBTL1UNGMEN1KMT2A
SCHEMBL4895021 0.78 EPHX2 (0.54) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL16618744 0.77 CYP4F2 (0.54) SMN1; SMN2KMT2AALDH1A1LMNACYP1A2
SCHEMBL18890217 0.77 PARP1 (0.57) MAPTL3MBTL1UNGCYP2C19TDP1

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 10 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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 MAPT 4315/4885SMN1; SMN2 4313/4885L3MBTL1 502/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAPT 4294/4885SMN1; SMN2 4812/4885L3MBTL1 2115/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAPT 4610/4885SMN1; SMN2 4827/4885L3MBTL1 2478/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPT 4866/4885SMN1; SMN2 3224/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885SMN1; SMN2 3077/4885L3MBTL1 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.