SCHEMBL7046637

SCHEMBL7046637

CC#COc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.66
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PGAM1 P18669 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ESR1 P03372 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL640746 0.80 MAOA (1.00) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL21874395 0.79 MAOA (0.75) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL28747763 0.77 CYP3A4 (0.44) MAOAKDM4EALDH1A1LMNACYP3A4
SCHEMBL3763290 0.76 MAOA (0.71) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL6893811 0.76 MAOA (0.69) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL30659694 0.76 CA12 (0.51) MAOAALDH1A1MEN1KMT2ATSHR
SCHEMBL7046410 0.75 MAOA (0.67) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL7046750 0.75 MAOA (0.67) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL22445080 0.75 MAOA (0.68) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL27585014 0.74 CA1 (0.52) 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 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 MAOA 3604/4885NPC1 29/4885RAB9A 4008/4885

“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.

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