SCHEMBL10138384

SCHEMBL10138384

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.51
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ACACB O00763 2/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL11969671 0.88 ACACB (0.65) ACACB
SCHEMBL469923 0.83 FFAR1 (0.69) SLC5A1SLC5A2FFAR1FFAR4LMNA
SCHEMBL4411258 0.81 MAPT (0.54) SLC5A1SLC5A2FFAR1FFAR4ACACB
SCHEMBL12000868 0.80 CYP4F2 (0.64) SLC5A1SLC5A2FFAR1FFAR4LMNA
SCHEMBL469864 0.80 LMNA (0.53) SLC5A1SLC5A2FFAR1FFAR4ACACB
SCHEMBL14387746 0.80 HDAC1 (0.53) PLK1FFAR1HSD17B1HSD17B2POLB
SCHEMBL8352827 0.79 SMN1; SMN2 (0.60) PLK1LMNAPOLBMAPTALDH1A1
SCHEMBL12228278 0.79 F2RL1 (0.69) HSD17B1HSD17B2L3MBTL1POLBMAPT
SCHEMBL13288583 0.78 POLB (0.44) FFAR1HSD17B1HSD17B2LMNAL3MBTL1
SCHEMBL10188629 0.78 ACACB (0.80) ACACBLMNAPOLBMAPT

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 PLK1 922/4885SLC5A1 723/4885SLC5A2 535/4885

“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.