SCHEMBL2565865

SCHEMBL2565865

COc1cc(C)c(I(=O)=O)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 6/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL8462433 0.89 SMN1; SMN2 (0.47) SMN1; SMN2POLBKMT2AHPGDCDC25B
SCHEMBL8464513 0.78 KDM4E (0.55) POLBKMT2AHPGDKDM4EMEN1
SCHEMBL4400139 0.77 HMGB1 (0.55) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL384123 0.77 POLB (0.57) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL8464696 0.77 TPMT (0.43) SMN1; SMN2KMT2AHPGDKDM4EMEN1
SCHEMBL28493002 0.75 SMN1; SMN2 (0.52) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL1809647 0.75 LCK (0.46) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL29260206 0.75 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL27974265 0.75 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2AHPGDCYP3A4
SCHEMBL2565863 0.72 CDC25B (0.43) SMN1; SMN2POLBKMT2AHPGDCYP3A4

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-10844088-B2 Process for the preparation of estetrol ESTETRA SPRL (BE) 2020-11-24 — — US claimed
EP-2734536-B1 PROCESS FOR THE PREPARATION OF ESTETROL DONESTA BIOSCIENCE B V (NL) 2016-09-28 — — EP claimed
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 SMN1; SMN2 1666/4885POLB 1265/4885KMT2A 1566/4885
US-10844088-B2 Process for the preparation of estetrol HSD17B11, CYP19A1, SULT1A1 SMN1; SMN2 1538/4885POLB 1502/4885KMT2A 1356/4885
US-20140235882-A1 PROCESS FOR THE PREPARATION OF ESTETROL CYP19A1, HSD17B11, SULT1A1 SMN1; SMN2 1553/4885POLB 1769/4885KMT2A 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.

Send feedback