SCHEMBL18364482

SCHEMBL18364482

CC(=O)c1ccc(N(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
SRD5A2 P31213 2/20 0.46
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 2/20 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
SCHEMBL8191180 0.91 MAPT (0.55) MAPTKMT2AMEN1NPC1POLB
SCHEMBL22972761 0.89 TSHR (0.67) TP53TSHRKMT2AMEN1NPC1
SCHEMBL2029621 0.89 TSHR (0.67) TP53TSHRKMT2AMEN1NPC1
SCHEMBL17040204 0.89 TSHR (0.67) TP53TSHRKMT2AMEN1NPC1
SCHEMBL7050772 0.87 MAPT (0.59) TSHRMAPTKMT2AMEN1NPC1
SCHEMBL29895062 0.87 MAPT (0.59) TSHRMAPTKMT2AMEN1NPC1
SCHEMBL211540 0.86 TSHR (0.71) TP53TSHRMAPTKMT2ARAB9A
Potassium SCHEMBL31268570 0.84 TSHR (0.67) TP53TSHRMAPTKMT2ARAB9A
Barium SCHEMBL31268595 0.84 TSHR (0.67) TP53TSHRMAPTKMT2ARAB9A
Calcium SCHEMBL31268578 0.84 TSHR (0.67) TP53TSHRMAPTKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081345-A1 METAL-ORGANIC FRAMEWORKS CHARACTERIZED BY HAVING A LARGE NUMBER OF ADSORPTION SITES PER UNIT VOLUME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 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-20170081345-A1 METAL-ORGANIC FRAMEWORKS CHARACTERIZED BY HAVING A LARGE NUMBER OF ADSORPTION SITES PER UNIT VOLUME EPCAM, SOD1, ABCB7 TP53 688/4885TSHR 3869/4885MAPT 1394/4885
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO TP53 1115/4885TSHR 4648/4885MAPT 2232/4885

“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.