SCHEMBL4093373

SCHEMBL4093373

CC(Cc1cccc(Cl)n1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.41
NR4A2 P43354 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
TBXAS1 P24557 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APAF1 O14727 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL27756869 0.83 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL7271754 0.80 CYP1A2 (0.55)
SCHEMBL5286013 0.80 CYP1A2 (0.55)
SCHEMBL12088566 0.78 CYP3A4 (0.38) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL31583179 0.73 MAPT (0.41) RXRANR4A2MAPTTBXAS1APAF1
SCHEMBL868262 0.73 AKR1B1 (0.48) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL29781424 0.73 AKR1B1 (0.48) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL266499 0.72 PTPRA (0.67) ALDH1A1SMN1; SMN2MAPTTBXAS1POLB
SCHEMBL14962122 0.72 PTPRA (0.67) ALDH1A1SMN1; SMN2MAPTTBXAS1POLB
SCHEMBL14640300 0.72 CYP1A2 (0.60) ALDH1A1NPSR1APAF1KDM4E

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 ALDH1A1 389/4885GAA 1538/4885SMN1; SMN2 3838/4885

“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.