SCHEMBL13276702

SCHEMBL13276702

O=C1C(O)=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 6/20 0.55
MAPT P10636 6/20 0.55
KMT2A Q03164 6/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 5/20 0.55
LMNA P02545 3/20 0.55
ALOX15 P16050 3/20 0.55
ALOX12 P18054 3/20 0.55
MAPK1 P28482 3/20 0.55
BLM P54132 2/20 0.55
USP2 O75604 2/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
GLA P06280 1/20 0.55
THRB P10828 1/20 0.55
BRCA1 P38398 1/20 0.55
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
RECQL P46063 2/20 0.43

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
SCHEMBL31467752 0.78 MAPT (0.53) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL9641503 0.78 MAPT (0.53) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL9619855 0.74 MEN1 (0.46) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7908457 0.72 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL29883748 0.72 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL13276496 0.71 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL13907269 0.71 HPGD (1.00) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL22215992 0.69 HSD17B10 (0.52) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL10895881 0.67 TSHR (0.64) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7528812 0.67 KDM4E (0.57) ALDH1A1MEN1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US disclosed
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US disclosed
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US 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-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD SOST, ACP3, PTH1R ALDH1A1 3533/4885MEN1 574/4885MAPT 1873/4885

“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.