SCHEMBL17372744

SCHEMBL17372744

COC(=O)c1cccc(C(=O)OC)c1-c1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TSHR P16473 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
MAPK10 P53779 1/20 0.60
PTK2B Q14289 1/20 0.60
NCOA1 Q15788 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
SLC6A3 Q01959 5/20 0.57
SLC6A4 P31645 3/20 0.57
HNF4A P41235 1/20 0.51
PDK2 Q15119 1/20 0.51
FGFR1 P11362 3/20 0.50
FGFR2 P21802 3/20 0.50
FGFR4 P22455 3/20 0.50
FGFR3 P22607 3/20 0.50
SRC P12931 2/20 0.50

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
SCHEMBL22256436 0.91 FGFR1 (0.57) MAPTTSHRMEN1KMT2AHTT
SCHEMBL22256427 0.89 FGFR1 (0.56) MAPTTSHRMEN1KMT2AHTT
SCHEMBL4827474 0.86 HNF4A (0.66) MAPTTSHRMEN1KMT2AHTT
SCHEMBL22256425 0.86 SLC6A3 (0.65) MAPTTSHRMEN1KMT2AHTT
SCHEMBL31109161 0.86 SLC6A3 (0.65) MAPTTSHRMEN1KMT2AHTT
SCHEMBL22256434 0.86 SLC6A3 (0.65) MAPTTSHRMEN1KMT2AHTT
SCHEMBL1775832 0.85 SLC6A3 (0.74) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL27843639 0.85 SLC6A3 (0.74) MAPTTSHRMEN1KMT2AHTT
SCHEMBL15008455 0.84 MYC (0.61) MAPTTSHRMEN1KMT2AHTT
Bicarbonate SCHEMBL6812921 0.84 SLC6A3 (0.63) MAPTTSHRMEN1KMT2AHTT

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-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-02 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
WO-2015195179-A2 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-23 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-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS MAPT 1623/4885TSHR 4014/4885MEN1 3390/4885
US-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups EPCAM, SOD1, SBDS MAPT 1623/4885TSHR 4014/4885MEN1 3390/4885

“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.