SCHEMBL16999944

SCHEMBL16999944

COc1cc(C2COc3cc(O)ccc3C2c2cc(F)c(O)c(F)c2)cc(OC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
CYP3A4 P08684 4/20 0.40
PPARD Q03181 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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 0.90 CYP3A4 (0.45) ESR1ESR2CYP3A4PPARDPTPN1
SCHEMBL16999942 0.88 ESR1 (0.48) ESR1ESR2CYP3A4PPARDSMN1; SMN2
SCHEMBL10098033 0.83 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL2717911 0.83 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL30362821 0.83 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL15954349 0.83 ESR1 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL18257890 0.83 PPARD (0.42) CYP3A4PPARDSMN1; SMN2PTPN1NPC1
SCHEMBL16993473 0.83 CYP3A4 (0.44) ESR1ESR2CYP3A4PPARDPTPN1
SCHEMBL16999955 0.80 CYP3A4 (0.40) CYP3A4PPARDSMN1; SMN2PTPN1MAOA
SCHEMBL24103709 0.76 ESR1 (0.46) ESR1ESR2CYP3A4PTPN1MAOA

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 9 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-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-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.