SCHEMBL7045859

SCHEMBL7045859

CC#COc1cc(O)c2c(=O)c(-c3ccc(OC)cc3)coc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.80
NPC1 O15118 7/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
CYP2C9 P11712 4/20 0.80
CYP2C19 P33261 4/20 0.80
NFKB1 P19838 3/20 0.80
NFKB2 Q00653 3/20 0.80
RELA Q04206 3/20 0.80
CYP2D6 P10635 3/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 6/20 0.74
ALDH1A1 P00352 5/20 0.74
MAPT P10636 5/20 0.74
TP53 P04637 5/20 0.74
KDM4E B2RXH2 5/20 0.74
HSD17B10 Q99714 4/20 0.74
HPGD P15428 4/20 0.74
MAPK1 P28482 3/20 0.74

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
4',7-Dimethoxy-5-Hydroxygenistein SCHEMBL572108 0.89 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Biochanin SCHEMBL61258 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Biochanin SCHEMBL29410271 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Prunetin SCHEMBL73420 0.84 ALDH2 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Prunetin SCHEMBL29612430 0.84 ALDH2 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14070593 0.83 NPC1 (0.82) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26145337 0.83 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7045828 0.82 MAPT (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12892701 0.82 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26145320 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 6 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
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 CN 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 RAB9A 4008/4885NPC1 29/4885SMN1; SMN2 1803/4885

“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.