SCHEMBL16999910

SCHEMBL16999910

COc1cc(C2COc3c(ccc(O)c3C)C2c2ccc3c(c2)OCO3)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 1/20 0.52
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP19A1 P11511 1/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL19193334 0.89 PPARG (0.42) PPARGPPARDPPARAMAOAMAOB
SCHEMBL19410286 0.86 CYP3A4 (0.44) PPARGPPARDPPARAMAOAMAOB
SCHEMBL19410290 0.86 CYP3A4 (0.44) PPARGPPARDPPARAMAOAMAOB
SCHEMBL19410294 0.86 CYP3A4 (0.44) PPARGPPARDPPARAMAOAMAOB
SCHEMBL19410293 0.86 CYP3A4 (0.44) PPARGPPARDPPARAMAOAMAOB
SCHEMBL16993477 0.86 CYP3A4 (0.44) PPARGPPARDPPARAMAOAMAOB
SCHEMBL16999941 0.85 CYP3A4 (0.42) PPARGPPARDPPARAMAOAMAOB
SCHEMBL16999939 0.85 CYP3A4 (0.42) PPARGPPARDPPARAMAOAMAOB
SCHEMBL16993463 0.84 CYP3A4 (0.46) PPARGPPARDPPARAMAOAMAOB
SCHEMBL16999955 0.82 CYP3A4 (0.40) PPARGPPARDMAOAMAOBCYP19A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370349-B2 Functionalised benzopyran compounds and use thereof Kazia Therapeutics Limited (AU) 2019-08-06 US disclosed
US-10370349-B2 Functionalised benzopyran compounds and use thereof Kazia Therapeutics Limited (AU) 2019-08-06 US disclosed
US-20180141925-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Kazia Therapeutics Limited (AU) 2018-05-24 US disclosed
US-20180141925-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Kazia Therapeutics Limited (AU) 2018-05-24 US disclosed
US-20180141925-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Kazia Therapeutics Limited (AU) 2018-05-24 US disclosed
EP-2953938-B1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Novogen ltd (AU) 2017-08-02 EP disclosed
EP-2953938-B1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Novogen ltd (AU) 2017-08-02 EP disclosed
US-9701655-B2 Functionalised benzopyran compounds and use thereof NOVOGEN LIMITED (AU) 2017-07-11 US disclosed
US-9701655-B2 Functionalised benzopyran compounds and use thereof NOVOGEN LIMITED (AU) 2017-07-11 US disclosed
US-9701655-B2 Functionalised benzopyran compounds and use thereof NOVOGEN LIMITED (AU) 2017-07-11 US disclosed
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF VIVESTO AB (SE) 2016-11-24 US disclosed
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF VIVESTO AB (SE) 2016-11-24 US disclosed
WO-2015117202-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF NOVOGEN LIMITED (AU) 2015-08-13 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 (3 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-20180141925-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, BRAP, EP300 PPARG 2116/4885PPARD 1500/4885PPARA 1725/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 PPARG 492/4885PPARD 322/4885PPARA 319/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 PPARG 2116/4885PPARD 1500/4885PPARA 1725/4885

“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.