SCHEMBL9575208

SCHEMBL9575208

C=CCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
HPGD P15428 4/20 0.68
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
EGFR P00533 1/20 0.68
TP53 P04637 1/20 0.68
CYP3A4 P08684 1/20 0.68
PKM P14618 1/20 0.68
ALOX15 P16050 1/20 0.68
ALOX12 P18054 1/20 0.68
JAK1 P23458 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
PTPN1 P18031 1/20 0.62
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57

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
SCHEMBL5410631 0.84 SMN1; SMN2 (0.61) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL2561428 0.83 PTPN1 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL31379003 0.83 PTPN1 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL30827199 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL149980 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL29707545 0.81 KDM4E (1.00) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL444059 0.81 PTPN1 (0.67) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL29145592 0.80 SMN1; SMN2 (0.57) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL1974978 0.80 PTPN1 (0.71) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL29489791 0.80 PTPN1 (0.71) KDM4EHPGDALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5310506-A None JP 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-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
JP-H05310506-A INSECT-PROOFING AGENT AND INSECT-PROOF ARTICLE USING THE SAME OSAKA KASEI KK 1993-11-22 JP 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 KDM4E 1192/4885HPGD 1499/4885ALDH1A1 2990/4885

“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.