SCHEMBL2909623

SCHEMBL2909623

COc1cc2c(cc(C=O)n2C)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
NQO2 P16083 4/20 0.46
TNFRSF1A P19438 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LY96 Q9Y6Y9 1/20 0.37
CYP1A2 P05177 1/20 0.37
ERN1 O75460 1/20 0.36
S100B P04271 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL27518760 0.77 TNFRSF1A (0.40) TNFRSF1AL3MBTL1KDM1AKDM4EALDH1A1
SCHEMBL28745917 0.75 CYP19A1 (0.42) CYP19A1NQO2TNFRSF1AL3MBTL1KDM1A
SCHEMBL21803739 0.74 GAA (0.45) CYP19A1NQO2TNFRSF1AL3MBTL1KDM1A
SCHEMBL2905589 0.73 ALDH1A1 (0.60) CYP19A1NQO2L3MBTL1KDM1AKDM4E
SCHEMBL2902799 0.72 L3MBTL1 (0.49) CYP19A1NQO2L3MBTL1KDM1AKDM4E
SCHEMBL2902810 0.71 RHEB (0.40) CYP19A1NQO2TNFRSF1AL3MBTL1KDM1A
SCHEMBL2908548 0.69 POLB (0.51) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27545818 0.69 TNFRSF1A (0.38) CYP19A1NQO2TNFRSF1AL3MBTL1KDM1A
SCHEMBL2907404 0.68 KDM4E (0.42) CYP19A1NQO2KDM4EALDH1A1HSD17B10
SCHEMBL2908934 0.67 TNKS2 (0.38) CYP19A1NQO2TNFRSF1AL3MBTL1KDM1A

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 8 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
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN 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 CYP19A1 2234/4885NQO2 1491/4885TNFRSF1A 1120/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 CYP19A1 2234/4885NQO2 1491/4885TNFRSF1A 1120/4885

“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.