SCHEMBL4568015

SCHEMBL4568015

Cc1ccc(C(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL4568018 0.83 NLRP3 (0.55) NPSR1ALDH1A1GAASMN1; SMN2
SCHEMBL4442403 0.82 ALDH1A1 (0.39) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL18511360 0.82 LMNA (0.43) NPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL978540 0.81 NPC1 (0.56) MAPTALDH1A1GAA
SCHEMBL20865561 0.80 ALDH1A1 (0.56) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL13636106 0.80 CYP3A4 (0.45) NPSR1ALDH1A1GAAMAPK1
SCHEMBL31470226 0.80 CYP3A4 (0.45) NPSR1ALDH1A1GAAMAPK1
SCHEMBL8478429 0.80 RXFP1 (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL26796257 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1GAA
SCHEMBL21568091 0.79 MEN1 (0.58) MEN1KMT2AMAPTNPSR1MYOC

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MEN1 2993/4885KMT2A 2056/4885MAPT 3199/4885

“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.