SCHEMBL18364483

SCHEMBL18364483

CC(=O)c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)cc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RXRA P19793 8/20 0.64
RXRB P28702 7/20 0.64
EGFR P00533 1/20 0.60
HSD17B1 P14061 2/20 0.59
RXRG P48443 3/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.55
BCL2L1 Q07817 1/20 0.54
BAD Q92934 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL13757206 1.00 MAPT (0.65) MAPTSMN1; SMN2RXRARXRBEGFR
SCHEMBL15960261 0.93 SMN1; SMN2 (0.74) MAPTSMN1; SMN2RXRARXRBHSD17B1
SCHEMBL1169167 0.93 SMN1; SMN2 (0.74) MAPTSMN1; SMN2RXRARXRBHSD17B1
SCHEMBL11754087 0.91 HSD17B1 (0.70) MAPTSMN1; SMN2RXRARXRBEGFR
SCHEMBL23202431 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10
SCHEMBL21133280 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10
SCHEMBL142861 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10
SCHEMBL21133337 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10
SCHEMBL22734016 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10
SCHEMBL864660 0.89 EGFR (0.72) RXRARXRBEGFRRXRGHSD17B10

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 MAPT 1394/4885SMN1; SMN2 1497/4885RXRA 2286/4885
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO MAPT 2232/4885SMN1; SMN2 1101/4885RXRA 605/4885

“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.