SCHEMBL8763452

SCHEMBL8763452

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
NR1I2 O75469 1/20 0.41
CCR2 P41597 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8763599 0.88 TSHR (0.63) TSHRALDH1A1TP53HSD17B10HPGD
SCHEMBL8762218 0.88 TSHR (0.60) TSHRALDH1A1MAPTHSD17B10HPGD
SCHEMBL8762858 0.87 POLB (0.47) ALDH1A1PPARGPPARANR1I2CCR2
SCHEMBL8762256 0.86 ALDH1A1 (0.60) TSHRALDH1A1HSD17B10HPGDCCR2
SCHEMBL8763597 0.86 TSHR (0.60) TSHRALDH1A1HSD17B10HPGDKDM4E
SCHEMBL8762189 0.85 TSHR (0.59) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL8762806 0.81 TSHR (0.56) TSHRALDH1A1TP53HSD17B10HPGD
SCHEMBL8763611 0.80 TSHR (0.58) TSHRALDH1A1TP53HSD17B10HPGD
SCHEMBL8762297 0.79 ALDH1A1 (0.56) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL8762908 0.78 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10KMT2AL3MBTL1

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 370/4885MAPT 3309/4885

“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.