SCHEMBL3022200

SCHEMBL3022200

[CH]=CCC([CH2])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HTR2A P28223 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35
HRH1 P35367 2/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3996056 0.78 CYP2C19 (0.55) CYP2C19HTR2ATAAR1SMN1; SMN2DPP4
SCHEMBL10510095 0.76 CYP2C19 (0.39) CYP2C19HTR2ATAAR1SMN1; SMN2DPP4
SCHEMBL2452392 0.76 CYP2C19 (0.44) CYP2C19HTR2ATAAR1SMN1; SMN2DPP4
SCHEMBL13279744 0.75 HTR2A (0.40) CYP2C19HTR2ATAAR1DPP4F2
SCHEMBL8105153 0.74 ALDH1A1 (0.39) CYP2C19HTR2ATAAR1SMN1; SMN2TSHR
SCHEMBL4314053 0.74 TAAR1 (0.52) TAAR1
SCHEMBL22325539 0.73 CYP2C19 (0.37) CYP2C19HTR2ATAAR1SMN1; SMN2HRH1
SCHEMBL22325537 0.73 CYP2C19 (0.37) CYP2C19HTR2ATAAR1SMN1; SMN2HRH1
SCHEMBL8809628 0.73 CYP2C19 (0.37) CYP2C19HTR2ATAAR1SMN1; SMN2DPP4
SCHEMBL2458793 0.72 DPP4 (0.39) CYP2C19HTR2ATAAR1DPP4F2

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 CYP2C19 225/4885HTR2A 1799/4885TAAR1 351/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP2C19 3545/4885HTR2A 3506/4885TAAR1 1639/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP2C19 3137/4885HTR2A 3861/4885TAAR1 1967/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP2C19 2694/4885HTR2A 4500/4885TAAR1 1279/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP2C19 290/4885HTR2A 1033/4885TAAR1 644/4885

“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.