SCHEMBL1973584

SCHEMBL1973584

CCCCCc1cccc2c[c]ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.42
▸ LIPG Q9Y5X9 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ BID P55957 3/20 0.38
▸ MCL1 Q07820 3/20 0.38
▸ BCL2L1 Q07817 2/20 0.38
▸ BAK1 Q16611 2/20 0.38
▸ KAT8 Q9H7Z6 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ KAT2A Q92830 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ KAT5 Q92993 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL2253305 0.98 TLR8 (0.43) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL5748971 0.98 TLR8 (0.43) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL2253157 0.98 TLR8 (0.43) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL2253163 0.95 BCHE (0.39) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL8620581 0.88 NQO2 (0.35) BCHE
SCHEMBL5751155 0.86 KCNH2 (0.46) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL2251965 0.86 KCNH2 (0.46) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL2256150 0.86 KCNH2 (0.46) TLR8LIPGALOX5PTGS2KCNH2
SCHEMBL2253485 0.83 TLR8 (0.41) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2256018 0.83 TLR8 (0.41) TLR8LIPGKCNH2BIDMCL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 — — US disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 — — EP disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 — — US disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 — — EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 — — 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-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS TLR8 4348/4885LIPG 1919/4885ALOX5 127/4885

“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.

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