SCHEMBL16993477

SCHEMBL16993477

COc1cc(C2COc3c(ccc(O)c3C)C2c2ccc(O)cc2)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
PTGS1 P23219 1/20 0.42
PPARD Q03181 5/20 0.40
PPARG P37231 4/20 0.40
PTPN1 P18031 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.37
PPARA Q07869 1/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 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
SCHEMBL19410286 1.00 CYP3A4 (0.44) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19410290 1.00 CYP3A4 (0.44) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19410294 1.00 CYP3A4 (0.44) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19410293 1.00 CYP3A4 (0.44) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19421024 0.95 CYP3A4 (0.40) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19421021 0.95 CYP3A4 (0.40) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19421023 0.95 CYP3A4 (0.40) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19421025 0.95 CYP3A4 (0.40) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL19421022 0.95 CYP3A4 (0.40) CYP3A4PTGS1PPARDPPARGPTPN1
SCHEMBL18241815 0.92 TUBB4A (0.45) CYP3A4PTGS1PPARDPPARGPTPN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10265294-B2 Compositions and methods for treating epithelial cancer YALE UNIVERSITY (US) 2019-04-23 US claimed
US-20170281588-A1 Compositions and Methods for Treating Epithelial Cancer YALE UNIVERSITY 2017-10-05 US claimed
WO-2023235929-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USES THEREOF NOXOPHARM LIMITED (AU) 2023-12-14 WO disclosed
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-10265294-B2 Compositions and methods for treating epithelial cancer YALE UNIVERSITY (US) 2019-04-23 US disclosed
US-10265294-B2 Compositions and methods for treating epithelial cancer YALE UNIVERSITY (US) 2019-04-23 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
US-20170281588-A1 Compositions and Methods for Treating Epithelial Cancer YALE UNIVERSITY 2017-10-05 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-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
EP-2953938-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF Novogen Ltd. (AU) 2015-12-16 EP disclosed
WO-2015117202-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF NOVOGEN LIMITED (AU) 2015-08-13 WO 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 (5 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-20170281588-A1 Compositions and Methods for Treating Epithelial Cancer PKD1, SLC16A1, FOLR1 CYP3A4 4066/4885PTGS1 2825/4885PPARD 706/4885
US-20180141925-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, BRAP, EP300 CYP3A4 145/4885PTGS1 1785/4885PPARD 1500/4885
US-10265294-B2 Compositions and methods for treating epithelial cancer PKD1, SLC16A1, FOLR1 CYP3A4 4066/4885PTGS1 2825/4885PPARD 706/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 CYP3A4 57/4885PTGS1 205/4885PPARD 322/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 CYP3A4 145/4885PTGS1 1785/4885PPARD 1500/4885

“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.