SCHEMBL16080656

SCHEMBL16080656

CO[C@]1(C)CC[C@]2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)c(F)c3)ccc1C)=C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 1.00
▸ ACACA Q13085 13/20 1.00
▸ DAPK3 O43293 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ PGR P06401 1/20 0.31
▸ TDP2 O95551 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL16045105 1.00 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16045104 1.00 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL12479480 0.88 ACACB (0.79) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16080655 0.88 ACACB (1.00) ACACBACACANTRK1FLT3GSK3B
SCHEMBL16044190 0.88 ACACB (1.00) ACACBACACANTRK1FLT3GSK3B
SCHEMBL16044188 0.88 ACACB (1.00) ACACBACACANTRK1FLT3GSK3B
SCHEMBL16042150 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16042148 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16080658 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16042043 0.87 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1

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
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 — — US disclosed
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 — — US disclosed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 — — US disclosed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 — — 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 ACACB 1121/4885ACACA 1826/4885DAPK3 1712/4885

“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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