SCHEMBL3343836

SCHEMBL3343836

COc1cc2c(cc1NC(=O)C1CCCN1C(=O)OC(C)(C)C)oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 7/20 0.59
NPSR1 Q6W5P4 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 2/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ATM Q13315 1/20 0.59
LMNA P02545 6/20 0.55
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 11/20 0.52
HPGD P15428 7/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52

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
SCHEMBL3343831 1.00 KDM4E (0.59) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL28952181 0.82 LMNA (0.47) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL31239008 0.79 LMNA (0.79) ALDH1A1NPSR1SMN1; SMN2NPC1GAA
SCHEMBL1851606 0.77 ALDH1A1 (0.59) KDM4EALDH1A1NPSR1NPC1TSHR
SCHEMBL13492830 0.76 KMT2A (0.70) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL8178390 0.76 NPSR1 (0.59) ALDH1A1NPSR1SMN1; SMN2NPC1LMNA
SCHEMBL11987662 0.75 NPSR1 (0.76) ALDH1A1NPSR1NPC1TSHRLMNA
SCHEMBL6228770 0.75 MAPT (0.70) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL11987493 0.74 KMT2A (0.68) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL12649100 0.74 KMT2A (0.68) KDM4EALDH1A1NPSR1SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172443-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE HAMARI CHEMICALS LTD (JP) 2013-03-27 EP disclosed
US-8222452-B2 Method for producing optically active amines HAMARI CHEMICALS, LTD. (JP) 2012-07-17 US disclosed
US-20100160636-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES HAMARI CHEMICALS, LTD. (JP) 2010-06-24 US disclosed
EP-2172443-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE Hamari Chemicals, Ltd. (JP) 2010-04-07 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 (1 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-20100160636-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES INMT, HNMT, PADI3 KDM4E 1357/4885ALDH1A1 1278/4885NPSR1 696/4885

“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.