SCHEMBL8762255

SCHEMBL8762255

CCC(CC)C(=O)Cc1cc(OC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PKM P14618 1/20 0.37
ABCB1 P08183 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL4568371 0.91 TAS1R3 (0.39) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL8761832 0.90 TAS1R3 (0.43) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL24254051 0.85 ALDH1A1 (0.46) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL8760784 0.85 PTGER1 (0.41) ALDH1A1KMT2AMEN1PKMHSD17B10
SCHEMBL2156670 0.84 AKR1C3 (0.48) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL7962276 0.82 AKR1C3 (0.41) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL3225589 0.81 NR1I2 (0.41) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL4568031 0.81 NPC1 (0.39) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A
SCHEMBL4568024 0.80 ABCB1 (0.39) NR1I2ALDH1A1KMT2AMEN1PPARG
SCHEMBL8762406 0.80 ALDH1A1 (0.41) TAS1R3TAS1R1NR1I2ALDH1A1KMT2A

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 6 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
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP 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 TAS1R3 441/4885TAS1R1 197/4885NR1I2 755/4885

“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.