SCHEMBL469923

SCHEMBL469923

CCOc1ccc(-c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.69
FFAR4 Q5NUL3 7/20 0.69
LMNA P02545 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
AKR1B1 P15121 1/20 0.57
MITF O75030 1/20 0.57
TP53 P04637 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55

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
SCHEMBL1205605 0.95 LMNA (0.75) FFAR1FFAR4LMNAL3MBTL1SLC5A1
SCHEMBL456459 0.87 FFAR1 (0.67) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL4652283 0.85 FFAR1 (0.69) FFAR1FFAR4LMNAL3MBTL1AKR1B1
SCHEMBL15374821 0.85 FFAR1 (0.69) FFAR1FFAR4LMNAL3MBTL1AKR1B1
SCHEMBL28222556 0.85 LMNA (0.61) FFAR1FFAR4LMNAL3MBTL1SLC5A1
SCHEMBL7337576 0.84 L3MBTL1 (0.75) FFAR1LMNAL3MBTL1TP53
SCHEMBL12000868 0.84 CYP4F2 (0.64) FFAR1FFAR4LMNAL3MBTL1SLC5A1
SCHEMBL469864 0.84 LMNA (0.53) FFAR1FFAR4LMNAL3MBTL1SLC5A1
SCHEMBL13498531 0.83 FFAR1 (0.60) FFAR1FFAR4LMNAL3MBTL1SLC5A1
SCHEMBL469914 0.83 RXRA (0.63) FFAR1FFAR4LMNAL3MBTL1

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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G FFAR1 4197/4885FFAR4 3442/4885LMNA 2031/4885

“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.