SCHEMBL406395

SCHEMBL406395

CC[CH]c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
TDP1 Q9NUW8 3/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP3A4 P08684 1/20 0.61
ATM Q13315 1/20 0.61
CYP19A1 P11511 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADAM17 P78536 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
Methylamine SCHEMBL27987341 0.96 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL8493494 0.89 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL256709 0.83 CYP3A4 (0.66) ALDH1A1TDP1HSD17B10CYP3A4ATM
Piperonal SCHEMBL1774149 0.83 ALDH1A1 (0.82) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL9149832 0.83 CYP3A4 (0.66) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL28171574 0.82 ALDH1A1 (0.63) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL27598808 0.82 ALDH1A1 (0.63) ALDH1A1TDP1HSD17B10CYP3A4ATM
Piperonal SCHEMBL5839673 0.82 ALDH1A1 (0.79) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL11011119 0.80 CYP3A4 (0.62) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL11011121 0.80 CYP3A4 (0.62) ALDH1A1TDP1HSD17B10CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US claimed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US claimed
JP-2007518807-A 2007-07-12 JP claimed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP claimed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US claimed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US disclosed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US disclosed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 WO disclosed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (6 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-20080096844-A1 Novel inhibitors of chymase CMA1, SERPINB1, PRSS1 ALDH1A1 1619/4885TDP1 1582/4885HSD17B10 1094/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 ALDH1A1 1606/4885TDP1 1665/4885HSD17B10 973/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 ALDH1A1 1606/4885TDP1 1665/4885HSD17B10 973/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 ALDH1A1 1606/4885TDP1 1665/4885HSD17B10 973/4885
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 ALDH1A1 3400/4885TDP1 2779/4885HSD17B10 2583/4885
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 ALDH1A1 3400/4885TDP1 2779/4885HSD17B10 2583/4885

“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.