SCHEMBL4568121

SCHEMBL4568121

COC(=O)c1ccc(Cc2c(C(C)(C)C)[nH]c3cc(C)ccc23)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
RAB9A P51151 7/20 0.50
GFER P55789 1/20 0.50
TSHR P16473 2/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX12 P18054 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 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
SCHEMBL4568113 0.88 ALDH1A1 (0.51) HTTRAB9AGFERTSHRNPC1
SCHEMBL4568170 0.88 EGFR (0.41) HTTRAB9AGFERNPC1MAPT
SCHEMBL10314447 0.85 EGFR (0.37) HTTRAB9AGFERMAPTALDH1A1
SCHEMBL4568109 0.82 MDM4 (0.56) HTTRAB9AGFERTSHRNPC1
SCHEMBL4568120 0.78 RAB9A (0.47) RAB9ANPC1MAPTNR4A2LMNA
SCHEMBL4568152 0.76 GPR17 (0.44) RAB9ANPC1HSD17B10POLBSMN1; SMN2
SCHEMBL4568099 0.74 MAPT (0.43) HTTRAB9ATSHRNPC1MAPT
SCHEMBL2651977 0.74 HTT (0.71) HTTRAB9ATSHRNPC1MAPT
SCHEMBL4568102 0.71 MTNR1A (0.48) HTTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10314507 0.71 EGFR (0.36) HTTRAB9ATSHRMAPTALDH1A1

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 3 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
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 HTT 2322/4885RAB9A 1646/4885GFER 2032/4885

“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.