SCHEMBL8763599

SCHEMBL8763599

CCOC(=O)c1ccc(Cn2c(-c3ccccc3)cc3cc(C)ccc32)o1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8762256 0.91 ALDH1A1 (0.60) TSHRALDH1A1NOD2NOD1HSD17B10
SCHEMBL8762218 0.91 TSHR (0.60) TSHRALDH1A1NOD2NOD1HSD17B10
SCHEMBL8763597 0.91 TSHR (0.60) TSHRALDH1A1NOD2NOD1LMNA
SCHEMBL8762189 0.90 TSHR (0.59) TSHRALDH1A1HPGDKDM4ETP53
SCHEMBL8762908 0.89 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10L3MBTL1KMT2A
SCHEMBL8763452 0.88 TSHR (0.57) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8763611 0.85 TSHR (0.58) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL8762297 0.84 ALDH1A1 (0.56) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8762806 0.84 TSHR (0.56) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL8762779 0.81 TSHR (0.47) TSHRALDH1A1LMNAKDM4ENPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 WO 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 TSHR 384/4885ALDH1A1 370/4885NOD2 2889/4885

“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.