SCHEMBL7040565

SCHEMBL7040565

CCN(CC)CC#CCOc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.63
MAPT P10636 5/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 2/20 0.61
LMNA P02545 1/20 0.61
MAOA P21397 5/20 0.55
MAOB P27338 5/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
XDH P47989 1/20 0.55
BCL2 P10415 1/20 0.55

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
SCHEMBL7044607 0.91 ALDH1A1 (0.59) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL14070597 0.81 ALDH2 (0.80) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL30527918 0.81 ALDH2 (0.80) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL2467096 0.80 HRH3 (0.69) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL2469188 0.80 HRH3 (0.70) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL12946416 0.80 HRH3 (0.78) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL2464301 0.79 MAPT (0.61) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL571576 0.79 XDH (0.84) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL31241609 0.78 ALDH2 (0.79) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL31241612 0.77 ALDH2 (0.80) HRH3MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 HRH3 396/4885MAPT 3858/4885ALDH1A1 2996/4885

“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.