SCHEMBL2777973

SCHEMBL2777973

O=[N+]([O-])c1ccccc1C(OC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP1A2 P05177 3/20 0.51
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 4/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR35 Q9HC97 1/20 0.43
ESR1 P03372 1/20 0.43
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL384635 0.89 CYP1A2 (0.50) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8728605 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL9679556 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8728613 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL10483637 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRTDP1NPC1
SCHEMBL10466262 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL3326982 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL4078018 0.80 CYP1A2 (0.56) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL2821430 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL1116162 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRTDP1HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3813832-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER Fundació Hospital Universitari Vall d'Hebron - Institut de Recerca (ES) 2021-05-05 EP disclosed
EP-3271468-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2018-01-24 EP disclosed
WO-2016146808-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S. A. (ES) 2016-09-22 WO disclosed
EP-3004036-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF Leo Laboratories Limited (IE) 2016-04-13 EP disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 WO disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
US-8313771-B2 Phosphazene hydrogels with chemical corss-link, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-20 US disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 US disclosed
EP-2155806-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-02-24 EP disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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 (2 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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL ALDH1A1 2323/4885CYP1A2 1942/4885TSHR 4580/4885
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 ALDH1A1 750/4885CYP1A2 1121/4885TSHR 3405/4885

“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.