SCHEMBL16999947

SCHEMBL16999947

CCCc1cc2c(cc1O)OCC(c1cc(OC)c(O)c(OC)c1)C2c1cc(C)c(O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.40
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL17000023 0.77 CYP3A4 (0.43) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL16999891 0.75 CYP3A4 (0.45) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL16999935 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL10800827 0.74 HMGCR (0.46) HMGCRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL16999946 0.72 PPARD (0.40) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL19193115 0.72 CYP3A4 (0.44) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17000022 0.70 CYP3A4 (0.44) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL16999890 0.70 CYP3A4 (0.39) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL16999932 0.69 PTGS1 (0.45) CYP3A4SMN1; SMN2NPC1PKMHTT
SCHEMBL16999944 0.69 ESR1 (0.41) CYP3A4SMN1; SMN2NPC1PKMHTT

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 HMGCR 4129/4885CYP3A4 145/4885SMN1; SMN2 26/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 HMGCR 1943/4885CYP3A4 57/4885SMN1; SMN2 2972/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 HMGCR 4129/4885CYP3A4 145/4885SMN1; SMN2 26/4885

“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.