SCHEMBL16993465

SCHEMBL16993465

COc1cc(C2COc3cc(O)cc(F)c3C2c2ccc(O)c(F)c2)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
PPARD Q03181 5/20 0.40
PPARG P37231 4/20 0.40
PTPN1 P18031 3/20 0.40
ALOX5 P09917 1/20 0.40
PPARA Q07869 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
POLB P06746 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP2 P08253 2/20 0.35
MMP14 P50281 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL18257890 0.89 PPARD (0.42) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999928 0.85 CYP3A4 (0.45) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999946 0.85 PPARD (0.40) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL17000022 0.80 CYP3A4 (0.44) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999935 0.80 CYP3A4 (0.44) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL17000023 0.78 CYP3A4 (0.43) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16993473 0.78 CYP3A4 (0.44) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999939 0.77 CYP3A4 (0.42) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999936 0.76 CYP3A4 (0.40) CYP3A4PPARDPPARGPTPN1ALOX5
SCHEMBL16999933 0.75 CYP3A4 (0.39) CYP3A4PPARDPPARGPTPN1ALOX5

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 16 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
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF VIVESTO AB (SE) 2016-11-24 US disclosed
EP-2953938-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Novogen Ltd. (AU) 2015-12-16 EP disclosed
WO-2015117202-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF NOVOGEN LIMITED (AU) 2015-08-13 WO 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 CYP3A4 145/4885PPARD 1500/4885PPARG 2116/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 CYP3A4 57/4885PPARD 322/4885PPARG 492/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 CYP3A4 145/4885PPARD 1500/4885PPARG 2116/4885

“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.