SCHEMBL2908556

SCHEMBL2908556

COc1cc2cc(CN3CCN(Cc4cc5cc(OC)c(OC)c(OC)c5[nH]4)CC3)[nH]c2c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL2902310 0.96 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL2910618 0.77 KMT2A (0.43) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL2910611 0.75 MAPT (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL13344922 0.74 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL29744074 0.73 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDTDP1
SCHEMBL2911035 0.73 KDM4E (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2907911 0.72 MAPT (0.48) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL27518825 0.69 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL14234928 0.69 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2910606 0.69 DRD4 (0.47) KDM4EALDH1A1LMNAMEN1KMT2A

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.