SCHEMBL1503886

SCHEMBL1503886

CCOC(=O)c1cc(=O)c2cc(Cl)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 1.00
ALDH1A1 P00352 4/20 0.63
AKR1B1 P15121 1/20 0.62
KDM4E B2RXH2 3/20 0.56
SLC2A1 P11166 1/20 0.53
MAPK1 P28482 1/20 0.52
ALOX5 P09917 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
ADCY1 Q08828 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6339410 0.89 MAOB (0.81) MAOBALDH1A1AKR1B1KDM4ESLC2A1
SCHEMBL22617461 0.86 MAOB (0.76) MAOBAKR1B1SLC2A1MAPK1TP53
SCHEMBL115442 0.85 AKR1B1 (0.80) MAOBALDH1A1AKR1B1SLC2A1MAPK1
SCHEMBL29495358 0.85 AKR1B1 (0.80) MAOBALDH1A1AKR1B1SLC2A1MAPK1
SCHEMBL4253616 0.85 MAOB (0.74) MAOBAKR1B1KDM4ESLC2A1MAPK1
SCHEMBL31634948 0.85 MAOB (0.73) MAOBALDH1A1KDM4EMAPK1HPGD
SCHEMBL31619651 0.85 MAOB (0.73) MAOBALDH1A1KDM4EMAPK1HPGD
SCHEMBL8251037 0.84 MAOB (0.72) MAOBAKR1B1SLC2A1MAPK1TP53
SCHEMBL2811962 0.84 MAOB (0.72) MAOBALDH1A1AKR1B1SLC2A1MAPK1
SCHEMBL8122629 0.84 MAOB (0.72) MAOBAKR1B1SLC2A1MAPK1ALOX5

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (7 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 MAOB 2043/4885ALDH1A1 3430/4885AKR1B1 1594/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAOB 2147/4885ALDH1A1 3319/4885AKR1B1 1556/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R MAOB 2147/4885ALDH1A1 3319/4885AKR1B1 1556/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAOB 2147/4885ALDH1A1 3319/4885AKR1B1 1556/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAOB 2147/4885ALDH1A1 3319/4885AKR1B1 1556/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MAOB 161/4885ALDH1A1 793/4885AKR1B1 2178/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MAOB 2497/4885ALDH1A1 3734/4885AKR1B1 1555/4885

“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.