SCHEMBL14658591

SCHEMBL14658591

O=C(O)[C@H]1C[C@@H]1c1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 6/20 0.43
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
PDE4D Q08499 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HDAC4 P56524 1/20 0.36
CYP2C9 P11712 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL2681954 0.81 MAPT (0.40) FFAR4HRH3CYP2C9
SCHEMBL4773141 0.77 FFAR1 (0.36) FFAR1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL3526047 0.75 FFAR1 (0.35) FFAR1CYP4F2CYP4A11
SCHEMBL2680595 0.75 FFAR4 (0.49) FFAR1FFAR4PDE4DCYP2C9PDE4A
SCHEMBL3803873 0.75 FFAR4 (0.49) FFAR1FFAR4PDE4DCYP2C9PDE4A
SCHEMBL3803876 0.75 FFAR4 (0.49) FFAR1FFAR4PDE4DCYP2C9PDE4A
SCHEMBL3096469 0.75 FFAR1 (0.42) FFAR1FFAR4CYP4F2CYP4A11
SCHEMBL7868639 0.73 FFAR1 (0.68) FFAR1FFAR4HDAC4
SCHEMBL6994406 0.73 FFAR1 (0.68) FFAR1FFAR4HDAC4
SCHEMBL2681413 0.71 FFAR1 (0.47) FFAR1FFAR4PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 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-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FFAR1 194/4885FFAR4 134/4885CYP4F2 1388/4885

“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.