SCHEMBL5281022

SCHEMBL5281022

CC(C)(CC(=O)C(=O)O)Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.48
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
RIPK1 Q13546 1/20 0.45
KIF11 P52732 1/20 0.42
PKM P14618 1/20 0.42
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NR4A2 P43354 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
SCHEMBL5287968 0.82 MAPT (0.44) RIPK1ALDH1A1KMT2AMEN1HPGD
SCHEMBL21313898 0.78 RIPK1 (0.52) CTBP2RIPK1KIF11PKMALDH1A1
SCHEMBL5925967 0.77 PNMT (0.47) RIPK1ALDH1A1KMT2AMEN1PNMT
SCHEMBL28100713 0.76 PKM (0.48) CTBP2RIPK1KIF11PKMALDH1A1
SCHEMBL3476733 0.76 RIPK1 (0.54) CTBP2RIPK1KIF11PKMMAOA
SCHEMBL5790565 0.75 CTBP2 (0.67) CTBP2ERCC5FEN1PLAAT3PLAAT5
SCHEMBL11974009 0.75 RIPK1 (0.49) CTBP2RIPK1PNMT
SCHEMBL6585765 0.75 ERCC5 (0.47) CTBP2ERCC5FEN1RIPK1KIF11
SCHEMBL6340256 0.75 BLM (0.58) CTBP2RIPK1KIF11PKMALDH1A1
SCHEMBL4340077 0.75 BLM (0.58) CTBP2RIPK1KIF11PKMALDH1A1

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
CN-101146773-A 6, 7, 8, 9-tetrahydro-5-amino-5h-benzocyclohepten-6-ol derivatives and related compounds used as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2008-03-19 CN disclosed
EP-1863765-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-12 EP disclosed
US-20060247292-A1 Benzocycloheptene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
WO-2006100099-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 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-20060247292-A1 Benzocycloheptene derivatives, process for their production and their use as anti-inflammatory agents TNF, NFKBIA, PTGES CTBP2 1981/4885ERCC5 3592/4885FEN1 4499/4885

“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.