SCHEMBL42527

SCHEMBL42527

CC(C)(C)N(CCCCC(=O)c1ccco1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
PTPN1 P18031 1/20 0.41
CTNNB1 P35222 4/20 0.41
WNT3A P56704 4/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13562455 0.77 ALDH1A1 (0.47) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL8544013 0.75 CES2 (0.64) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL3381517 0.75 MAPT (0.55) ERCC5FEN1L3MBTL1PTPN1CTNNB1
SCHEMBL1531620 0.75 GAA (0.57) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL25222615 0.73 GAA (0.59) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL18825687 0.73 GAA (0.59) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL4373141 0.73 GAA (0.59) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL4382929 0.73 GAA (0.59) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL10352791 0.73 CES2 (0.52) ERCC5FEN1KMT2AL3MBTL1PTPN1
SCHEMBL10353082 0.73 GAA (0.59) ERCC5FEN1MEN1KMT2AL3MBTL1

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
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR ERCC5 4408/4885FEN1 3064/4885MEN1 886/4885

“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.