SCHEMBL2902810

SCHEMBL2902810

COc1cc2c(cc(CO)n2C)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.40
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.34
MAOA P21397 2/20 0.34
POLB P06746 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE5A O76074 2/20 0.34

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
SCHEMBL2908934 0.85 TNKS2 (0.38) CYP19A1NQO2KDM1AKDM4ETNFRSF1A
SCHEMBL27545818 0.81 TNFRSF1A (0.38) CYP19A1NQO2KDM1AKDM4ETNFRSF1A
SCHEMBL2907404 0.80 KDM4E (0.42) CYP19A1NQO2KDM4EALDH1A1HSD17B10
SCHEMBL2909674 0.77 SLC29A1 (0.43) HSD17B10CYP3A4SMN1; SMN2
SCHEMBL2910549 0.77 KDM4E (0.47) KDM4EALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL28745917 0.75 CYP19A1 (0.42) CYP19A1NQO2KDM1AKDM4ETNFRSF1A
SCHEMBL2910647 0.74 SLC29A1 (0.46) KDM4EALDH1A1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL2905589 0.73 ALDH1A1 (0.60) RHEBCYP19A1NQO2KDM1AKDM4E
SCHEMBL5420166 0.72 RHEB (0.44) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2902799 0.72 L3MBTL1 (0.49) CYP19A1NQO2KDM1AKDM4EALDH1A1

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 RHEB 4081/4885CYP19A1 2234/4885NQO2 1491/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 RHEB 4081/4885CYP19A1 2234/4885NQO2 1491/4885

“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.