SCHEMBL2906697

SCHEMBL2906697

COc1cc2cc(C(=O)N3CCN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)CC3)[nH]c2c(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
HPGD P15428 1/20 0.68
HRH4 Q9H3N8 11/20 0.58
CFD P00746 1/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
P4HB P07237 1/20 0.48
HSP90AA1 P07900 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2903193 0.96 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHRH4
SCHEMBL27519362 0.92 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHRH4
SCHEMBL13173680 0.83 AKR1C3 (0.62) KDM4EALDH1A1LMNAHPGDHRH4
SCHEMBL12596874 0.81 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL1771123 0.81 HPGD (1.00) KDM4EALDH1A1LMNAHPGDKMT2A
Hydrochloric Acid SCHEMBL3555727 0.80 HPGD (0.97) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL30503469 0.80 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL28941241 0.80 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL3555723 0.80 HPGD (0.75) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL2908238 0.80 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US 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 (2 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885LMNA 2954/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885LMNA 2954/4885

“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.