SCHEMBL16999928

SCHEMBL16999928

COc1cc(C2COc3cc(O)ccc3C2c2ccc(O)c(F)c2)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
PTPN1 P18031 3/20 0.39
CYP2D6 P10635 1/20 0.39
PPARD Q03181 5/20 0.38
PPARG P37231 4/20 0.38
ALOX5 P09917 1/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL16993473 0.93 CYP3A4 (0.44) CYP3A4ESR1ESR2PTPN1CYP2D6
SCHEMBL16999944 0.90 ESR1 (0.41) CYP3A4ESR1ESR2PTPN1PPARD
SCHEMBL16999942 0.88 ESR1 (0.48) CYP3A4ESR1ESR2PTPN1PPARD
SCHEMBL16999927 0.87 ESR1 (0.43) CYP3A4ESR1ESR2
SCHEMBL16999935 0.86 CYP3A4 (0.44) CYP3A4ESR1ESR2PTPN1CYP2D6
SCHEMBL17000022 0.86 CYP3A4 (0.44) CYP3A4ESR1ESR2PTPN1CYP2D6
SCHEMBL16993465 0.85 CYP3A4 (0.45) CYP3A4ESR1ESR2PTPN1CYP2D6
SCHEMBL17000023 0.85 CYP3A4 (0.43) CYP3A4PTPN1CYP2D6PPARDPPARG
SCHEMBL10098033 0.84 ESR1 (0.46) CYP3A4ESR1ESR2
SCHEMBL15954349 0.84 ESR1 (0.46) CYP3A4ESR1ESR2

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
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
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 145/4885ESR1 2369/4885ESR2 2681/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 CYP3A4 57/4885ESR1 399/4885ESR2 1299/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 CYP3A4 145/4885ESR1 2369/4885ESR2 2681/4885

“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.