SCHEMBL2464626

SCHEMBL2464626

CCN(CC)CC#CCOc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.53
XDH P47989 1/20 0.45
CYP19A1 P11511 1/20 0.43
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.39
KDM5A P29375 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
HCRTR1 O43613 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL5748445 0.81 MAOA (0.58) MAOAXDHACHEBCHEKDM4E
SCHEMBL7041314 0.81 XDH (0.57) MAOAXDHCYP19A1ACHEBCHE
SCHEMBL5798486 0.80 XDH (0.65) MAOAXDHACHEBCHEALDH1A1
SCHEMBL6893811 0.78 MAOA (0.69) MAOACYP19A1NPC1RAB9AKDM4E
SCHEMBL7425703 0.78 XDH (0.60) MAOAXDHACHEBCHEALDH1A1
SCHEMBL7381861 0.78 XDH (0.60) MAOAXDHACHEBCHEALDH1A1
SCHEMBL7046752 0.77 CYP3A4 (0.62) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL5747126 0.77 MAOA (0.57) MAOAXDHACHEBCHENPC1
SCHEMBL5746390 0.76 MAOA (0.56) MAOAXDHACHEBCHECYP2A6
SCHEMBL2464196 0.74 MAOA (0.47) MAOANPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782337-B2 2011-09-28 JP claimed
US-6608089-B2 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2003-08-19 US claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP claimed
JP-2003508524-A 2003-03-04 JP claimed
US-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2002-12-05 US claimed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP claimed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO claimed
US-6608089-B2 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2003-08-19 US disclosed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed
US-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2002-12-05 US disclosed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO 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-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis BRCA1, NCEH1, EZH1 MAOA 3604/4885XDH 524/4885CYP19A1 35/4885

“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.