SCHEMBL1800596

SCHEMBL1800596

COC(=O)c1cc(-c2ccccc2)ccc1NC(=O)COCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 5/20 0.54
TSHR P16473 1/20 0.54
MAPK10 P53779 1/20 0.54
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 7/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49
PTPN1 P18031 1/20 0.49
NR4A2 P43354 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
TP53 P04637 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL1800597 0.96 PTPN1 (0.56) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1799563 0.96 KDM4E (0.52) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1798637 0.90 KDM4E (0.52) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1799401 0.87 PTPN1 (0.64) ALDH1A1HSD17B10KMT2AKDM4EPOLB
SCHEMBL416414 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1014577 0.86 KDM4E (0.50) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1796132 0.84 TSHR (0.47) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1799011 0.83 CDC7 (0.46) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1799009 0.83 TSHR (0.46) ALDH1A1HSD17B10TSHRMAPK10KMT2A
SCHEMBL1798258 0.82 SERPINE1 (0.67) ALDH1A1KMT2ACYP3A4

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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 ALDH1A1 800/4885HSD17B10 1614/4885TSHR 2186/4885

“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.