SCHEMBL16999927

SCHEMBL16999927

Oc1ccc2c(c1)OCC(c1cc(F)c(F)c(F)c1)C2c1ccc(O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
CYP3A4 P08684 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TTR P02766 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
SCHEMBL16999928 0.87 CYP3A4 (0.45) ESR1ESR2CYP3A4
SCHEMBL16993473 0.86 CYP3A4 (0.44) ESR1ESR2CYP3A4
SCHEMBL16999940 0.80 ESR1 (0.35) ESR1ESR2CYP3A4
SCHEMBL2717911 0.79 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL30362821 0.79 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL10098033 0.79 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL15954349 0.79 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL2717066 0.79 ESR1 (0.57) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL10074006 0.79 ESR1 (0.57) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL21613691 0.79 ESR1 (0.57) ESR1ESR2CYP3A4MAOAMAOB

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.