SCHEMBL14700751

SCHEMBL14700751

Cc1ccc(-c2ccc(F)c(F)c2)cc1C1=C(O)[C@]2(CC[C@H](C)CC2)NC1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.67
ACACA Q13085 13/20 0.67
THRB P10828 1/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL14689499 1.00 ACACB (0.67) ACACBACACATHRBDAPK3NTRK1
SCHEMBL14689500 1.00 ACACB (0.67) ACACBACACATHRBDAPK3NTRK1
SCHEMBL2348559 0.91 ACACB (0.81) ACACBACACATHRBDAPK3NTRK1
SCHEMBL14689498 0.91 ACACB (0.81) ACACBACACATHRBDAPK3NTRK1
SCHEMBL14700718 0.91 ACACB (0.81) ACACBACACATHRBDAPK3NTRK1
SCHEMBL2353429 0.89 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14161224 0.89 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL2352719 0.89 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14689966 0.89 ACACB (0.84) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14700737 0.89 ACACB (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885THRB 1069/4885

“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.