SCHEMBL6536022

SCHEMBL6536022

COc1cccc(-c2ccccc2C=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.54
TLR2 O60603 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
SRC P12931 1/20 0.54
NFE2L2 Q16236 5/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAOB P27338 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PRMT1 Q99873 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6536509 0.88 HDAC4 (0.56) ERN1TLR2TLR1TLR6SRC
SCHEMBL2474418 0.85 ERN1 (0.57) ERN1TLR2TLR1TLR6SRC
O-Veratraldehyde SCHEMBL29923149 0.83 SRC (0.67) ERN1TLR2TLR1TLR6SRC
O-Veratraldehyde SCHEMBL28289918 0.83 SRC (0.67) ERN1TLR2TLR1TLR6SRC
O-Veratraldehyde SCHEMBL319070 0.83 SRC (0.67) ERN1TLR2TLR1TLR6SRC
SCHEMBL3679777 0.83 ERN1 (0.54) ERN1TLR2TLR1TLR6SRC
SCHEMBL15618978 0.81 ERN1 (0.53) ERN1TLR2TLR1TLR6SRC
SCHEMBL16674078 0.81 CA1 (0.55) NFE2L2CA1CA2ALDH1A1KDM4E
SCHEMBL196440 0.81 MGAM (0.55) NFE2L2CA1CA2LMNAALDH1A1
SCHEMBL6536507 0.81 ALDH1A1 (0.48) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805674-B Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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 (3 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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 ERN1 411/4885TLR2 4803/4885TLR1 4151/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 ERN1 411/4885TLR2 4803/4885TLR1 4151/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 ERN1 402/4885TLR2 4790/4885TLR1 4138/4885

“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.