SCHEMBL2464301

SCHEMBL2464301

COc1ccc(-c2coc3cc(OCC#CCN4CCOCC4)ccc3c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
RAB9A P51151 5/20 0.61
MAPK1 P28482 2/20 0.61
HRH3 Q9Y5N1 6/20 0.59
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
IL2 P60568 2/20 0.52
XDH P47989 1/20 0.52
BCL2 P10415 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2467096 0.93 HRH3 (0.69) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL2469188 0.92 HRH3 (0.70) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL7045130 0.91 ALDH1A1 (0.53) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL2467838 0.87 ACHE (0.56) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL7042266 0.86 RAB9A (0.61) MAPTRAB9AMAPK1KDM4EMEN1
SCHEMBL7040569 0.83 KDM4E (0.54) MAPTMAPK1KDM4EMEN1ALDH1A1
SCHEMBL7040565 0.79 HRH3 (0.63) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL4102527 0.77 MAPT (0.60) MAPTRAB9AMAPK1HRH3KDM4E
SCHEMBL17718206 0.77 HRH3 (0.73) MAPTRAB9AMAPK1HRH3MAOA
SCHEMBL30527918 0.76 ALDH2 (0.80) MAPTRAB9AMAPK1HRH3KDM4E

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 11 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
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 CN 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
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP 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 MAPT 3858/4885RAB9A 4008/4885MAPK1 2070/4885

“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.