SCHEMBL4948533

SCHEMBL4948533

O=[N+]([O-])c1cccc(Oc2cccc([N+](=O)[O-])c2)c1.O=c1c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LPAR3 Q9UBY5 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
PGR P06401 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
SCN2A Q99250 1/20 0.46
HTT P42858 1/20 0.45

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
Alcohol SCHEMBL27698497 0.91 CYP2C9 (0.49) ABCG2ALDH1A1LMNATSHRCYP2C9
Isopropyl Alcohol SCHEMBL4955206 0.91 NPY5R (0.50) ABCG2ALDH1A1LMNATSHRCYP2C9
SCHEMBL4203388 0.88 TSHR (0.67) ABCG2ALDH1A1LMNATSHRCYP2C9
SCHEMBL4456862 0.86 ALDH1A1 (0.60) ABCG2ALDH1A1LMNATSHRLPAR3
SCHEMBL30043252 0.86 TSHR (0.64) ABCG2ALDH1A1LMNATSHRCYP2C9
SCHEMBL6273333 0.86 TSHR (0.64) ABCG2ALDH1A1LMNATSHRCYP2C9
SCHEMBL9356592 0.84 ALDH1A1 (0.67) ALDH1A1LMNATSHRCYP2C9CYP2C19
SCHEMBL9158141 0.84 ALDH1A1 (0.67) ALDH1A1LMNATSHRCYP2C9CYP2C19
SCHEMBL11453175 0.81 LMNA (0.57) ABCG2ALDH1A1LMNATSHRCYP2C9
SCHEMBL9214229 0.81 ALDH1A1 (0.73) ALDH1A1LMNATSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273908-B2 Process for the preparation of estrone and/or estradiol-derivatives MSD OSS B.V. (NL) 2012-09-25 US claimed
CN-101010332-B Process for the preparation of estrone and/or estradiol derivatives ORGANON NV 2012-01-18 CN claimed
CN-102229635-A Process for the preparation of estrone and/or estradiol-derivates AKZO NOBEL NV 2011-11-02 CN claimed
EP-1794175-B1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES ORGANON NV (NL) 2008-08-13 EP claimed
US-20070299268-A1 Process for the Preparation of Estrone and/or Estradiol-Derivates N.V. ORGANON (NL) 2007-12-27 US claimed
CN-101010332-A Process for the preparation of estrone and/or estradiol derivatives ORGANON NV (NL) 2007-08-01 CN claimed
EP-1794175-A1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES N.V. Organon (NL) 2007-06-13 EP claimed
WO-2006021554-A1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES N.V. ORGANON (NL) 2006-03-02 WO claimed
CN-102229635-B Process for the preparation of estrone and/or estradiol-derivates AKZO NOBEL NV 2015-01-28 CN disclosed
US-8273908-B2 Process for the preparation of estrone and/or estradiol-derivatives MSD OSS B.V. (NL) 2012-09-25 US disclosed
CN-101010332-B Process for the preparation of estrone and/or estradiol derivatives ORGANON NV 2012-01-18 CN disclosed
CN-102229635-A Process for the preparation of estrone and/or estradiol-derivates AKZO NOBEL NV 2011-11-02 CN disclosed
EP-1794175-B1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20070299268-A1 Process for the Preparation of Estrone and/or Estradiol-Derivates N.V. ORGANON (NL) 2007-12-27 US disclosed
CN-101010332-A Process for the preparation of estrone and/or estradiol derivatives ORGANON NV (NL) 2007-08-01 CN disclosed
EP-1794175-A1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES N.V. Organon (NL) 2007-06-13 EP disclosed
WO-2006021554-A1 PROCESS FOR THE PREPARATION OF ESTRONE AND/OR ESTRADIOL-DERIVATES N.V. ORGANON (NL) 2006-03-02 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 (1 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-20070299268-A1 Process for the Preparation of Estrone and/or Estradiol-Derivates CYP19A1, HSD17B11, HSD17B7 ABCG2 1246/4885ALDH1A1 241/4885LMNA 4154/4885

“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.