SCHEMBL6904917

SCHEMBL6904917

C=CC(C)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
KMT2A Q03164 8/20 0.54
MAPT P10636 7/20 0.54
GAA P10253 6/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
HTR1A P08908 3/20 0.49
HTR2A P28223 2/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
GLA P06280 2/20 0.49
MAPK1 P28482 1/20 0.49
PAX8 Q06710 1/20 0.48
MCL1 Q07820 1/20 0.48
SRC P12931 1/20 0.47
PLIN1 O60240 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 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
SCHEMBL6898974 0.80 KDM4E (0.70) KDM4EKMT2AMAPTGAALMNA
SCHEMBL27079801 0.78 KDM4E (0.79) KDM4EKMT2AMAPTGAALMNA
SCHEMBL13609741 0.78 KMT2A (0.64) KDM4EKMT2AMAPTGAALMNA
SCHEMBL4383562 0.76 MAOB (0.67) KDM4EKMT2AMAPTGAALMNA
SCHEMBL29749855 0.76 MAOB (0.67) KDM4EKMT2AMAPTGAALMNA
SCHEMBL22475349 0.75 KDM4E (0.64) KDM4EKMT2AMAPTGAALMNA
SCHEMBL6901789 0.75 KDM4E (0.74) KDM4EKMT2AMAPTGAALMNA
SCHEMBL21033840 0.74 KDM4E (0.62) KDM4EKMT2AMAPTGAALMNA
SCHEMBL27079807 0.74 KDM4E (1.00) KDM4EKMT2AMAPTGAALMNA
SCHEMBL29963486 0.74 KDM4E (1.00) KDM4EKMT2AMAPTGAALMNA

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-6767916-B2 1-(4-METHYL-7-(3-METHYLBUT-2-ENYLOXY)COUMARIN-8-YL)-3-(PYRIDIN E-3-YL)- PROPEN-1-ONE FOR EXAMPLE; ANTIPROLIFERATIVE AGENT; TUMOR, CANCER TREATMENT INDENA S.P.A. (IT) 2004-07-27 US disclosed
EP-1212311-B1 CHALCONE COUMARINS INDENA SPA (IT) 2003-03-26 EP disclosed
US-20020161036-A1 1-(4-methyl-7-(3-methylbut-2-enyloxy)coumarin-8-yl)-3-(pyridin e-3-yl)- propen-1-one for example; antiproliferative agent; tumor, cancer treatment INDENA S.P.A. (IT) 2002-10-31 US disclosed
EP-1212311-A1 CHALCONE COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017984-A1 CHALCONE 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-20020161036-A1 1-(4-methyl-7-(3-methylbut-2-enyloxy)coumarin-8-yl)-3-(pyridin e-3-yl)- propen-1-one for example; antiproliferative agent; tumor, cancer treatment NFKBIA, MKI67, HPD KDM4E 201/4885KMT2A 1899/4885MAPT 4371/4885

“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.