SCHEMBL469914

SCHEMBL469914

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
ABCC4 O15439 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
PTGS1 P23219 1/20 0.58
HTT P42858 1/20 0.58
PLA2G4B P0C869 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
LTB4R Q15722 2/20 0.51
LTB4R2 Q9NPC1 2/20 0.51

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
SCHEMBL503308 0.94 PLA2G4B (0.58) RXRARXRBRXRGPLA2G4BSMN1; SMN2
Hydrochloric Acid SCHEMBL2528810 0.93 PLA2G4B (0.56) RXRARXRBRXRGPLA2G4BSMN1; SMN2
SCHEMBL11969487 0.86 FFAR1 (0.64) FFAR1
SCHEMBL4212932 0.84 RXRA (0.69) RXRARXRBRXRGABCC4LMNA
3-Methylbutanoic Acid SCHEMBL6891960 0.83 SMN1; SMN2 (0.56) RXRARXRBRXRGPLA2G4BSMN1; SMN2
SCHEMBL469923 0.83 FFAR1 (0.69) LMNAFFAR1FFAR4L3MBTL1
SCHEMBL9000228 0.82 PLA2G4B (0.79) LMNATSHRPLA2G4BSMN1; SMN2ALDH1A1
SCHEMBL11850238 0.82 ABCC4 (0.58) RXRARXRBRXRGABCC4LMNA
SCHEMBL4217510 0.81 KDM4E (0.68) RXRARXRBRXRGABCC4LMNA
SCHEMBL10715195 0.81 PTPN11 (0.49) RXRARXRBRXRGGAAPTGS1

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 RXRA 1513/4885RXRB 1663/4885RXRG 1229/4885

“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.