SCHEMBL7098853

SCHEMBL7098853

CCOC(=O)C1(NC(=O)Cc2cc(C)c(-c3ccccc3)cc2C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
OPRM1 P35372 5/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 4/20 0.35
CTSL P07711 3/20 0.35
FABP4 P15090 3/20 0.35
FABP5 Q01469 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 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
SCHEMBL812375 0.87 CTSL (0.40) SMN1; SMN2OPRM1CTSBCTSSCTSL
SCHEMBL6739957 0.86 CTSL (0.39) SMN1; SMN2OPRM1CTSBCTSSCTSL
SCHEMBL8862966 0.80 POLB (0.40) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL8862797 0.80 POLB (0.40) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL8862538 0.80 POLB (0.40) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL8863072 0.79 L3MBTL1 (0.41) SMN1; SMN2OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL9980974 0.77 FPR2 (0.40) SMN1; SMN2OPRM1MEN1KMT2AOPRD1
SCHEMBL14432207 0.76 MAPT (0.42) SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL1476383 0.76 CTSB (0.39) SMN1; SMN2OPRM1CTSBCTSSCTSL
SCHEMBL3164180 0.72 SMN1; SMN2 (0.34) SMN1; SMN2OPRM1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096806-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2003-05-22 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 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 (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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, SULT1E1 SMN1; SMN2 4637/4885OPRM1 1231/4885CTSB 2710/4885

“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.