SCHEMBL16999940

SCHEMBL16999940

Cc1c(O)ccc2c1OCC(c1cc(F)c(F)c(F)c1)C2c1ccc(O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
CYP3A4 P08684 2/20 0.32
PTGS1 P23219 1/20 0.32
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL16999929 0.92 ESR2 (0.34) ESR1ESR2CYP3A4PTGS1ALOX15
SCHEMBL16993464 0.88 ESR1 (0.34) ESR1ESR2ALOX15ALOX12PTPN1
SCHEMBL16999939 0.88 CYP3A4 (0.42) ESR1ESR2CYP3A4PTGS1CYP2D6
SCHEMBL16999930 0.87 TUBB4A (0.43) CYP3A4PTGS1CYP2D6PTPN1
SCHEMBL2731372 0.81 HTR2A (0.34) ESR1ESR2CYP3A4PTGS1CYP2D6
SCHEMBL10098029 0.81 HTR2A (0.34) ESR1ESR2CYP3A4PTGS1CYP2D6
SCHEMBL30362760 0.81 HTR2A (0.34) ESR1ESR2CYP3A4PTGS1CYP2D6
SCHEMBL15953600 0.81 HTR2A (0.34) ESR1ESR2CYP3A4PTGS1CYP2D6
SCHEMBL2716699 0.81 KDM1A (0.41) CYP3A4PTGS1CYP2D6PTPN1
SCHEMBL15954687 0.81 KDM1A (0.41) CYP3A4PTGS1CYP2D6PTPN1

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

“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.