SCHEMBL4459169

SCHEMBL4459169

C=CC(C)=O.O=C1c2ccccc2C(=O)N1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ERCC1 P07992 2/20 0.46
FEN1 P39748 2/20 0.46
ERCC4 Q92889 2/20 0.46
TRPA1 O75762 1/20 0.44
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
RNASEH1 O60930 1/20 0.42
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SCN2A Q99250 1/20 0.40
CASP3 P42574 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39

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
Acetic Acid SCHEMBL2369439 0.84 ERCC1 (0.52) ALDH1A1ERCC1FEN1ERCC4TSHR
Acetic Acid SCHEMBL28464649 0.82 ERCC1 (0.50) ALDH1A1ERCC1FEN1ERCC4TSHR
SCHEMBL29361703 0.81 ERCC1 (0.62) ALDH1A1ERCC1FEN1ERCC4NPC1
SCHEMBL1410 0.81 ERCC1 (0.62) ALDH1A1ERCC1FEN1ERCC4NPC1
SCHEMBL710689 0.81 ERCC1 (0.62) ALDH1A1ERCC1FEN1ERCC4NPC1
SCHEMBL1279494 0.79 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4NPC1
Ammonia Solution, Strong SCHEMBL8656352 0.79 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4NPC1
Lithium SCHEMBL1279496 0.79 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4NPC1
SCHEMBL2824834 0.79 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4NPC1
Water SCHEMBL4444794 0.79 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538084-B2 Cyclosporins AMR TECHNOLOGY, INC. (US) 2009-05-26 US disclosed
EP-1603512-A2 NOVEL CYCLOSPORINS Albany Molecular Research, Inc. (US) 2005-12-14 EP disclosed
US-20040235716-A1 Novel cyclosporins CURIA GLOBAL, INC. 2004-11-25 US disclosed
WO-2004082629-A2 NOVEL CYCLOSPORINS ALBANY MOLECULAR RESEARCH, INC. (US) 2004-09-30 WO 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-20040235716-A1 Novel cyclosporins CHP1, IL2, CCR1 ALDH1A1 2632/4885ERCC1 1082/4885FEN1 2210/4885

“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.