SCHEMBL6282108

SCHEMBL6282108

COCOc1cccc(COC)c1COC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
IDO1 P14902 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 5/20 0.33
HTR1A P08908 3/20 0.33
DRD2 P14416 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL2218616 0.80 TP53 (0.42) PTPN1IDO1CHEK1AURKADAPK3
SCHEMBL4962884 0.80 PDK2 (0.39) IDO1PDK2ADRA1AKDM4ENPC1
SCHEMBL7255833 0.76 SLC6A4 (0.50) ABCB1HTR1ADRD2KDM4EHTT
SCHEMBL6283334 0.76 PTPN1 (0.40) PTPN1IDO1SMN1; SMN2CHEK1AURKA
SCHEMBL31617750 0.76 FOLH1 (0.50) PTPN1
SCHEMBL3937622 0.75 PTPN1 (0.40) PTPN1SMN1; SMN2CHEK1AURKADAPK3
SCHEMBL8216183 0.74 PDK2 (0.42) IDO1GSK3BCDK9PDK2ADRA1A
SCHEMBL10434845 0.74 PTPN1 (0.38) PTPN1IDO1CHEK1AURKADAPK3
SCHEMBL12855014 0.74 PTPN1 (0.41) PTPN1HTR1ACHEK1AURKADAPK3
SCHEMBL27655748 0.74 L3MBTL1 (0.38) PTPN1SMN1; SMN2ADRA1AKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP 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 (1 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 PTPN1 916/4885IDO1 507/4885SMN1; SMN2 1309/4885

“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.