SCHEMBL16993472

SCHEMBL16993472

Cc1c(O)ccc(C(=O)c2ccc(O)c(F)c2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SNCA P37840 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HSD17B14 Q9BPX1 2/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL18241788 0.89 HDAC1 (0.54) HDAC1MEN1KMT2AHSD17B10ACHE
SCHEMBL25242597 0.83 KMT2A (0.56) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL26441706 0.83 HDAC1 (0.70) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18241796 0.81 ACHE (0.43) HDAC1MEN1KMT2AHSD17B10ACHE
SCHEMBL19085033 0.81 SHBG (0.48) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18241812 0.80 HDAC1 (0.45) HDAC1MEN1KMT2AHSD17B10ACHE
SCHEMBL29215682 0.80 ALDH1A1 (0.54) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11211367 0.80 MAPT (0.56) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL1758260 0.78 KMT2A (0.51) HDAC1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL29748711 0.78 HSD17B1 (0.59) HSD17B10ACHESNCAKDM4ELMNA

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 7 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
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-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

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 HDAC1 130/4885MEN1 7/4885KMT2A 1486/4885
US-20160340329-A1 FUNCTIONALISED BENZOPYRAN COMPOUNDS AND USE THEREOF BRCA1, VHL, NQO1 HDAC1 218/4885MEN1 2754/4885KMT2A 539/4885
US-10370349-B2 Functionalised benzopyran compounds and use thereof BRCA1, BRAP, EP300 HDAC1 130/4885MEN1 7/4885KMT2A 1486/4885

“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.