SCHEMBL5280097

SCHEMBL5280097

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NR3C1 P04150 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NPC1 O15118 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
PARP10 Q53GL7 1/20 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
SCHEMBL5287781 0.83 RIPK1 (0.43) RIPK1KMT2AMEN1ALDH1A1CTSS
SCHEMBL7642712 0.78 CA12 (0.47) RIPK1KMT2AMEN1RAB9APOLB
SCHEMBL7061807 0.75 TAAR1 (0.47) RIPK1KMT2AMEN1RAB9APOLB
SCHEMBL27976223 0.73 RIPK1 (0.43) RIPK1KMT2AMEN1RAB9APOLB
SCHEMBL14860957 0.73 RIPK1 (0.46) RIPK1KMT2AMEN1RAB9APOLB
SCHEMBL11970972 0.70 RIPK1 (0.47) RIPK1ALDH1A1NR3C1TAAR1TSHR
SCHEMBL9565762 0.69 RIPK1 (0.51) RIPK1KMT2AMEN1POLBALDH1A1
SCHEMBL16393647 0.69 RIPK1 (0.47) RIPK1KMT2AMEN1ALDH1A1CTSS
SCHEMBL29836734 0.69 RIPK1 (0.51) RIPK1KMT2AMEN1POLBALDH1A1
SCHEMBL15637806 0.69 RIPK1 (0.48) RIPK1KMT2AMEN1POLBALDH1A1

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 2846/4885KMT2A 3194/4885MEN1 4853/4885

“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.