SCHEMBL9033109

SCHEMBL9033109

COc1cc(C(C)=O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ G6PD P11413 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ GPR35 Q9HC97 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TPMT P51580 1/20 0.41

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
SCHEMBL20285973 0.87 GPR35 (0.44) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL1734996 0.86 TDP1 (0.45) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL2402093 0.84 GPR35 (0.61) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL19341723 0.83 MAPT (0.45) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL12648406 0.80 ESR1 (0.49) MAPTMAPK1KMT2AAKR1C3AKR1C2
SCHEMBL15199259 0.80 GPR35 (0.56) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL12326834 0.79 ALDH1A1 (0.53) MAPTMAPK1KDM4EAKR1C3AKR1C2
SCHEMBL1632528 0.79 ALDH1A1 (0.57) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL29189968 0.78 MEN1 (0.50) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL31392530 0.78 GPR35 (0.69) MAPTMAPK1KDM4EMEN1KMT2A

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-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof REDDY, G. Pratap (IN) 2017-09-14 — — US disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 — — US disclosed
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 — — US disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 — — US disclosed
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 — — EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 — — US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 — — 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-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof CYP4A11, CYP11B1, CYP11B2 MAPT 4331/4885MAPK1 503/4885KDM4E 2763/4885
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAPT 3603/4885MAPK1 1741/4885KDM4E 1849/4885
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAPT 3603/4885MAPK1 1741/4885KDM4E 1849/4885

“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.

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