SCHEMBL7044922

SCHEMBL7044922

CC#COc1ccc2c(=O)c(-c3ccccc3)coc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MAPT P10636 8/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
KDM4E B2RXH2 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
TP53 P04637 4/20 0.70
CYP3A4 P08684 3/20 0.70
HPGD P15428 3/20 0.70
MAPK1 P28482 2/20 0.66
POLB P06746 2/20 0.66
GAA P10253 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
PTGS1 P23219 1/20 0.66
SLC6A2 P23975 1/20 0.66
STAT1 P42224 1/20 0.66
CASP3 P42574 1/20 0.66
HTT P42858 1/20 0.66

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
SCHEMBL7041317 0.92 XDH (0.60) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7045828 0.89 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL762092 0.83 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7536897 0.80 ALDH2 (0.77) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Ipriflavone SCHEMBL111472 0.80 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Ipriflavone SCHEMBL29485035 0.80 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12238018 0.79 STS (0.77) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2070406 0.79 NPC1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8816175 0.78 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28805339 0.78 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 ALDH1A1 2996/4885MAPT 3858/4885SMN1; 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.