SCHEMBL16999933

SCHEMBL16999933

CCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)C2c1ccc(O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.39
PTGS1 P23219 1/20 0.37
CYP2D6 P10635 2/20 0.36
PTPN1 P18031 4/20 0.34
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
ALOX5 P09917 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKR1B1 P15121 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL16999936 0.92 CYP3A4 (0.40) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL19192785 0.90 CYP3A4 (0.39) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL18257889 0.89 CYP3A4 (0.36) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL16999939 0.85 CYP3A4 (0.42) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL16999889 0.81 CYP3A4 (0.42) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL19193218 0.80 CYP3A4 (0.40) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL16999892 0.80 CYP3A4 (0.38) CYP3A4PTGS1CYP2D6PTPN1PPARD
SCHEMBL16999928 0.79 CYP3A4 (0.45) CYP3A4CYP2D6PTPN1PPARDPPARG
SCHEMBL17000023 0.78 CYP3A4 (0.43) CYP3A4CYP2D6PTPN1PPARDPPARG
SCHEMBL16999930 0.78 TUBB4A (0.43) CYP3A4PTGS1CYP2D6PTPN1PPARD

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 14 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
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 145/4885PTGS1 1785/4885CYP2D6 474/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 CYP3A4 57/4885PTGS1 205/4885CYP2D6 111/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 CYP3A4 145/4885PTGS1 1785/4885CYP2D6 474/4885

“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.