SCHEMBL16999929

SCHEMBL16999929

Cc1c(O)ccc2c1OCC(c1cc(F)c(F)c(F)c1)C2c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.34
ESR1 P03372 8/20 0.34
PTPN1 P18031 2/20 0.33
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL16999940 0.92 ESR1 (0.35) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL17965959 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL2713213 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL29370582 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL30362759 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL10073998 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL15312098 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
Me-344 SCHEMBL30276333 0.88 ESR2 (0.36) ESR2ESR1PTPN1CYP3A4PTGS1
SCHEMBL2731372 0.85 HTR2A (0.34) ESR2ESR1PTPN1CYP3A4PTGS1
SCHEMBL10098029 0.85 HTR2A (0.34) ESR2ESR1PTPN1CYP3A4PTGS1

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 ESR2 2681/4885ESR1 2369/4885PTPN1 4263/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 ESR2 1299/4885ESR1 399/4885PTPN1 1929/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 ESR2 2681/4885ESR1 2369/4885PTPN1 4263/4885

“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.