SCHEMBL3021175

SCHEMBL3021175

[CH2]C(C)CC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 6/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3035973 0.88 POLB (0.76) POLBATMSMN1; SMN2LMNAALDH1A1
SCHEMBL2841801 0.80 ALDH1A1 (0.68) POLBSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL18282496 0.80 ALDH1A1 (0.56) POLBATMSMN1; SMN2LMNAALDH1A1
SCHEMBL3198447 0.79 ALDH1A1 (0.74) SMN1; SMN2LMNAALDH1A1TSHRKMT2A
SCHEMBL6681439 0.79 ALDH1A1 (0.83) ATMSMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL5064043 0.79 ALDH1A1 (0.71) POLBSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL2133889 0.78 ALDH1A1 (0.64) POLBSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL3035971 0.78 SMN1; SMN2 (0.63) POLBSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL1394606 0.78 ALDH1A1 (0.72) SMN1; SMN2LMNAALDH1A1TSHRKMT2A
SCHEMBL1393985 0.78 ALDH1A1 (0.72) SMN1; SMN2LMNAALDH1A1TSHRKMT2A

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 POLB 4226/4885ATM 3174/4885SMN1; SMN2 4313/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 POLB 4281/4885ATM 2039/4885SMN1; SMN2 4812/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 POLB 4346/4885ATM 2400/4885SMN1; SMN2 4827/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 POLB 3851/4885ATM 4463/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 POLB 2808/4885ATM 2673/4885SMN1; SMN2 3077/4885

“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.