SCHEMBL5287781

SCHEMBL5287781

CC(C)(CC(=O)C(=O)O)Cc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
GPR52 Q9Y2T5 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL5280097 0.83 RIPK1 (0.43) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL9565762 0.76 RIPK1 (0.51) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL16393647 0.76 RIPK1 (0.47) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL29836734 0.76 RIPK1 (0.51) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL3533731 0.73 CYP2C19 (0.38) RIPK1KMT2AALDH1A1CYP2C19HIF1A
SCHEMBL11970972 0.73 RIPK1 (0.47) RIPK1ALDH1A1CYP2C19LMNATAAR1
SCHEMBL4411791 0.73 CA12 (0.47) GPR52KMT2AMEN1ALDH1A1KDM4E
SCHEMBL15637806 0.72 RIPK1 (0.48) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL5925975 0.72 RIPK1 (0.41) RIPK1GPR52KMT2AMEN1ALDH1A1
SCHEMBL31117942 0.72 TAAR1 (0.50) RIPK1ALDH1A1CYP2C19LMNATAAR1

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 RIPK1 2846/4885GPR52 398/4885KMT2A 3194/4885

“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.