SCHEMBL2908855

SCHEMBL2908855

COc1cc2oc(CN3CCN(Cc4oc5cc(OC)c(OC)c(OC)c5c4C)CC3)c(C)c2c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ABCB1 P08183 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2903269 0.96 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2906193 0.70 LMNA (0.55) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2903150 0.68 LMNA (0.53) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2903081 0.67 EDNRA (0.60) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2909528 0.66 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
Hydrochloric Acid SCHEMBL10334149 0.65 KDM4E (0.75) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8745791 0.65 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2908652 0.65 TP53 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL25218056 0.64 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRPPARGNCOA2
SCHEMBL2909911 0.63 KMT2A (0.46) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A

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 ALDH1A1 468/4885SMN1; SMN2 2595/4885TSHR 1963/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885SMN1; SMN2 2595/4885TSHR 1963/4885

“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.