SCHEMBL874467

SCHEMBL874467

COc1ccc(CC2CCOCC2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
KMT2A Q03164 3/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
FKBP1A P62942 1/20 0.40
HTT P42858 1/20 0.40
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL15061180 0.79 CA1 (0.67) CA1CA2CA9CA12KMT2A
SCHEMBL874314 0.78 GLA (0.40) LTB4RLTB4R2FKBP1A
SCHEMBL9340622 0.70 SMN1; SMN2 (0.51) KMT2A
SCHEMBL6177620 0.69 FFAR4 (0.56) CA1CA2CA9CA12LDHA
SCHEMBL18264207 0.69 FPR2 (0.49) CA1CA2KMT2A
SCHEMBL18264211 0.69 FPR2 (0.49) CA1CA2KMT2A
SCHEMBL18264263 0.69 FPR2 (0.49) CA1CA2KMT2A
SCHEMBL11457462 0.69 TAS2R14 (0.53) KMT2A
SCHEMBL22097655 0.69 FPR2 (0.49) CA1CA2KMT2A
SCHEMBL9341094 0.69 GLA (0.43) HTT

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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 (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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 CA1 2388/4885CA2 3744/4885CA9 4529/4885

“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.