SCHEMBL6901789

SCHEMBL6901789

CC(=O)c1c(OCC=C(C)C)ccc2c(C)cc(=O)oc12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
HTR1A P08908 8/20 0.58
HTR2A P28223 6/20 0.58
ALDH1A1 P00352 5/20 0.56
GAA P10253 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FHIT P49789 1/20 0.53
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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 0.88 KDM4E (0.70) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL11076838 0.87 KDM4E (0.69) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL6904922 0.87 KDM4E (0.69) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL27079807 0.85 KDM4E (1.00) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL29963486 0.85 KDM4E (1.00) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL6898972 0.84 KDM4E (0.57) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL8876001 0.82 KDM4E (0.76) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL6904808 0.81 MAPT (0.61) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6905408 0.81 KDM4E (0.70) KDM4EHTR1AHTR2AALDH1A1GAA
SCHEMBL7172080 0.80 MAPT (0.50) KDM4EHTR1AHTR2AALDH1A1GAA

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 201/4885HTR1A 3018/4885HTR2A 4537/4885

“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.