SCHEMBL2564720

SCHEMBL2564720

Cc1ccc(I)c(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
ELAVL1 Q15717 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.37
MPL P40238 1/20 0.36
HIF1A Q16665 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MYC P01106 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL32679848 0.98 ALDH1A1 (0.39) ALDH1A1GAAKMT2APOLBKDM4E
SCHEMBL360272 0.98 ALDH1A1 (0.39) ALDH1A1GAAKMT2APOLBKDM4E
Potassium SCHEMBL2564722 0.96 ALDH1A1 (0.38) ALDH1A1GAAKMT2APOLBKDM4E
SCHEMBL24278496 0.82 ALDH1A1 (0.39) ALDH1A1GAAKMT2APOLBKDM4E
SCHEMBL8959215 0.79 ALDH1A1 (0.42) ALDH1A1GAAKMT2APOLBKDM4E
SCHEMBL3775205 0.78 KDM4E (0.52) ALDH1A1KMT2APOLBKDM4EMEN1
SCHEMBL2840799 0.77 HPGD (0.34) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL18066938 0.77 LMNA (0.50) ALDH1A1GAAPOLBRECQLCASP6
SCHEMBL197382 0.77 RAD51 (0.41) HSD17B10TSHRHIF1ALMNAHPGD
SCHEMBL11327329 0.77 MYC (0.41) ALDH1A1GAAKMT2APOLBKDM4E

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-10844088-B2 Process for the preparation of estetrol ESTETRA SPRL (BE) 2020-11-24 US disclosed
US-20170369521-A1 PROCESS FOR THE PREPARATION OF ESTETROL DONESTA BIOSCIENCE B.V. (NL) 2017-12-28 US disclosed
EP-2734536-B1 PROCESS FOR THE PREPARATION OF ESTETROL DONESTA BIOSCIENCE B V (NL) 2016-09-28 EP disclosed
US-20140235882-A1 PROCESS FOR THE PREPARATION OF ESTETROL Pantarhei Biocience B.V. 2014-08-21 US disclosed
EP-2734536-A1 PROCESS FOR THE PREPARATION OF ESTETROL Pantarhei Bioscience B.V. (NL) 2014-05-28 EP disclosed
WO-2013012328-A1 PROCESS FOR THE PREPARATION OF ESTETROL PANTARHEI BIOSCIENCE B.V. (NL) 2013-01-24 WO disclosed
EP-2383279-A1 Process for the preparation of estetrol Pantarhei Bioscience B.V. (NL) 2011-11-02 EP 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-20170369521-A1 PROCESS FOR THE PREPARATION OF ESTETROL HSD17B11, CYP19A1, SULT1A1 ALDH1A1 685/4885GAA 3681/4885KMT2A 1566/4885
US-10844088-B2 Process for the preparation of estetrol HSD17B11, CYP19A1, SULT1A1 ALDH1A1 511/4885GAA 3636/4885KMT2A 1356/4885
US-20140235882-A1 PROCESS FOR THE PREPARATION OF ESTETROL CYP19A1, HSD17B11, SULT1A1 ALDH1A1 335/4885GAA 3495/4885KMT2A 1392/4885

“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.