SCHEMBL4437797

SCHEMBL4437797

COc1[c]cc(C(C)=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.39
PTGS2 P35354 1/20 0.38
CA5A P35218 1/20 0.38
XDH P47989 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TPMT P51580 4/20 0.36

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
SCHEMBL9058013 0.78 CA5A (0.44) LMNAHTTCA5AXDHKDM4E
SCHEMBL4438220 0.76 LMNA (0.60) LMNAHTTPTGS2CA5APOLB
SCHEMBL7349445 0.71 CA3 (0.32) CA5ATDP1CYP3A4CA9CA14
SCHEMBL2338863 0.67 LMNA (0.84) LMNAHTTPTGS2CA5AXDH
SCHEMBL8319196 0.65 LMNA (0.42) LMNAKDM4EGAAL3MBTL1CYP3A4
SCHEMBL160742 0.65 MAPT (0.42) LMNAHTTGAAL3MBTL1ALDH1A1
SCHEMBL660390 0.65 TUBB1 (0.62) LMNAHTTGAACYP3A4ALDH1A1
SCHEMBL29757916 0.65 TUBB1 (0.62) LMNAHTTGAACYP3A4ALDH1A1
SCHEMBL12245712 0.64 TPMT (0.73) LMNAHTTPTGS2CYP3A4TPMT
SCHEMBL2978683 0.64 LMNA (0.50) LMNAHTTPTGS2CA5AXDH

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
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 LMNA 1875/4885HTT 273/4885PTGS2 98/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 LMNA 1465/4885HTT 37/4885PTGS2 880/4885

“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.