SCHEMBL6501360

SCHEMBL6501360

COC(=O)c1c(O)cc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
LCK P06239 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NCEH1 Q6PIU2 1/20 0.46
ERN1 O75460 1/20 0.45
CYP3A4 P08684 2/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1520762 0.87 MEN1 (0.54) MEN1KMT2AMAPTCA12CA1
SCHEMBL589725 0.85 MEN1 (0.59) MEN1KMT2AMAPTCA12CA1
SCHEMBL28283411 0.84 MEN1 (0.48) MEN1KMT2AMAPTCA12CA1
SCHEMBL3381662 0.84 MEN1 (0.56) MEN1KMT2AMAPTCA12CA1
SCHEMBL3926157 0.84 MEN1 (0.48) MEN1KMT2AMAPTCA12CA1
SCHEMBL1127490 0.83 CA12 (0.56) MEN1KMT2AMAPTCA12CA1
SCHEMBL2941699 0.81 MAPT (0.49) MEN1KMT2AMAPTCA12CA9
SCHEMBL28284977 0.81 CA12 (0.49) MEN1KMT2AMAPTCA12CA1
SCHEMBL27626916 0.81 NSD2 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10559440 0.80 ALDH1A1 (0.59) MEN1KMT2AMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104780761-A Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress BAYER CROPSCIENCE AG 2015-07-15 CN disclosed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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 (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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D MEN1 1392/4885KMT2A 2889/4885MAPT 2960/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D MEN1 1392/4885KMT2A 2889/4885MAPT 2960/4885

“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.