SCHEMBL13517907

SCHEMBL13517907

C=CC(=O)c1ccc2c(Br)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
EGFR P00533 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
ALOX12 P18054 1/20 0.60
JAK1 P23458 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC9A1 P19634 1/20 0.56
AKT1 P31749 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL13518538 0.81 ALDH1A1 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13519099 0.81 ALDH1A1 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13517460 0.81 ALDH1A1 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3106132 0.80 PTPN1 (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6916983 0.78 PTPN1 (0.64) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6917825 0.78 PTPN1 (0.64) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6913161 0.78 PTPN1 (0.64) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6914944 0.78 PTPN1 (0.64) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16335025 0.78 SLC9A1 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6914150 0.78 PTPN1 (0.64) ALDH1A1MAPTHPGDMEN1KMT2A

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
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 ALDH1A1 2990/4885MAPT 2501/4885HPGD 1499/4885

“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.