SCHEMBL5287968

SCHEMBL5287968

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KYAT1 Q16773 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.40
ALOX5 P09917 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
GPR35 Q9HC97 1/20 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
SCHEMBL5281022 0.82 CTBP2 (0.48) RIPK1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5792784 0.80 MAPT (0.49) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL18473845 0.78 MMP8 (0.56) MAPTMAPK1RIPK1KMT2ASMN1; SMN2
SCHEMBL7059318 0.78 PLAAT3 (0.52) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL7643117 0.77 PLAAT3 (0.53) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL24019666 0.76 RIPK1 (0.45) MAPTMAPK1RIPK1KMT2ASMN1; SMN2
SCHEMBL29277184 0.75 MAPT (0.47) MAPTMAPK1RIPK1KMT2ASMN1; SMN2
SCHEMBL24112710 0.75 MAOB (0.45) RIPK1ALDH1A1HPGDKDM4EMAOB
SCHEMBL2596957 0.75 MAPT (0.47) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL22877743 0.75 PNMT (0.47) RIPK1

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 MAPT 2268/4885MAPK1 1524/4885GAA 1016/4885

“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.