SCHEMBL7046752

SCHEMBL7046752

C#CCOc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
CYP2A6 P11509 1/20 0.62
MAOA P21397 6/20 0.60
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PGAM1 P18669 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.43
KDM5A P29375 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL6893811 0.81 MAOA (0.69) CYP3A4CYP2A6MAOAKDM4EALDH1A1
SCHEMBL27823076 0.78 MAOA (0.70) CYP3A4MAOAKDM4EALDH1A1GLA
SCHEMBL4914778 0.78 MAOA (0.61) CYP3A4MAOAKDM4EALDH1A1GLA
SCHEMBL21874395 0.78 MAOA (0.75) CYP3A4MAOAKDM4EALDH1A1GLA
SCHEMBL2464626 0.77 MAOA (0.53) CYP3A4CYP2A6MAOAKDM4EALDH1A1
SCHEMBL5746372 0.77 MAOA (0.60) CYP3A4CYP2A6MAOAKDM4EALDH1A1
SCHEMBL6859087 0.77 MAOA (0.60) CYP3A4MAOAKDM4EALDH1A1GLA
SCHEMBL28461339 0.77 CYP3A4 (0.69) CYP3A4CYP2A6KDM4EALDH1A1GLA
SCHEMBL28198664 0.76 MAOA (0.62) CYP3A4CYP2A6MAOAKDM4EALDH1A1
SCHEMBL640746 0.75 MAOA (1.00) CYP3A4CYP2A6MAOAKDM4EALDH1A1

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 5 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 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 CYP3A4 3331/4885CYP2A6 1151/4885MAOA 3604/4885

“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.