SCHEMBL6947862

SCHEMBL6947862

O=C(O)/C(O)=C/C(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
NR4A2 P43354 3/20 0.54
MAOB P27338 2/20 0.51
PTPN1 P18031 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
SMPD1 P17405 1/20 0.49
SRD5A2 P31213 2/20 0.48
PARP10 Q53GL7 1/20 0.48
GCK P35557 1/20 0.47
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PTPRC P08575 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
PKM P14618 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
SCHEMBL6947866 1.00 MEN1 (0.65) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6947103 0.93 MEN1 (0.57) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6947101 0.93 MEN1 (0.57) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6947812 0.93 MEN1 (0.56) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6947809 0.93 MEN1 (0.56) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL14259572 0.90 MAOB (0.55) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6950492 0.89 NR4A2 (0.67) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6950489 0.89 NR4A2 (0.67) MEN1KMT2ANR4A2MAOBPTPN1
SCHEMBL6951893 0.88 MEN1 (0.51) MEN1KMT2ANR4A2MAOBPARP10
SCHEMBL6951889 0.88 MEN1 (0.51) MEN1KMT2ANR4A2MAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP claimed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP claimed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
US-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-28 US disclosed
US-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-28 US disclosed
WO-2013028297-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-28 WO disclosed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 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-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES EBNA1BP2, RPL17, TK2 MEN1 3568/4885KMT2A 1917/4885NR4A2 2522/4885

“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.