SCHEMBL4568019

SCHEMBL4568019

COc1ccc(CC(=O)CC(C)C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ABCB1 P08183 2/20 0.37
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 1/20 0.36
NR1I2 O75469 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
SCHEMBL4568024 0.87 ABCB1 (0.39) MTNR1BALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4568377 0.87 KMT2A (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL5241843 0.87 AKR1C3 (0.48) MTNR1BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7963161 0.84 KMT2A (0.40) ALDH1A1HPGDSMN1; SMN2TP53MAPK1
SCHEMBL4568014 0.83 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2TP53MAPK1
SCHEMBL4568031 0.83 NPC1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL4568371 0.81 TAS1R3 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL14628609 0.80 KMT2A (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2TP53
SCHEMBL17233418 0.80 KMT2A (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL4568373 0.80 KMT2A (0.44) ALDH1A1HPGDSMN1; SMN2TP53MAPK1

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
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 MTNR1B 14/4885ALDH1A1 422/4885KDM4E 3521/4885

“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.