SCHEMBL812375

SCHEMBL812375

CCOC(=O)C1(NC(=O)Cc2ccc(-c3ccccc3)cc2C)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.39
WNT3A P56704 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 3/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL6739957 0.93 CTSL (0.39) CTSLCTSBCTSSCNR2CNR1
SCHEMBL7098853 0.87 SMN1; SMN2 (0.37) CTSLCTSBCTSSSMN1; SMN2OPRM1
SCHEMBL8862538 0.86 POLB (0.40) SMN1; SMN2
SCHEMBL8862966 0.86 POLB (0.40) SMN1; SMN2
SCHEMBL8862797 0.86 POLB (0.40) SMN1; SMN2
SCHEMBL8863072 0.85 L3MBTL1 (0.41) SMN1; SMN2OPRM1
SCHEMBL811961 0.83 WNT3A (0.43) CTSLCTSBCTSSCNR2CNR1
SCHEMBL9980974 0.83 FPR2 (0.40) CNR2CNR1SMN1; SMN2OPRM1
SCHEMBL1476383 0.82 CTSB (0.39) CTSLCTSBCTSSSMN1; SMN2OPRM1
SCHEMBL8862748 0.77 L3MBTL1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7105471-B2 Arylphenyl-substituted cyclic ketoenols BAYER AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
US-20060122061-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER 2006-06-08 US disclosed
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2004-08-26 US disclosed
US-6716832-B2 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2002-12-12 US disclosed
US-6417370-B1 HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US 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 (5 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-20060122061-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, KCNQ2 CTSL 1180/4885CTSB 2679/4885CTSS 1339/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 CTSL 750/4885CTSB 2477/4885CTSS 1278/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 CTSL 750/4885CTSB 2477/4885CTSS 1278/4885
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 CTSL 1285/4885CTSB 2837/4885CTSS 1381/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 CTSL 1345/4885CTSB 2763/4885CTSS 1404/4885

“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.