SCHEMBL2947112

SCHEMBL2947112

CC(C)(C)CCOc1ccc(C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.47
PPARA Q07869 4/20 0.47
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ESR1 P03372 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL13236847 0.85 SMN1; SMN2 (0.48) FFAR1SMN1; SMN2TDP1ALDH1A1PPARA
SCHEMBL2948148 0.85 FFAR1 (0.68) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2947981 0.85 SMN1; SMN2 (0.74) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2949666 0.84 FFAR1 (0.62) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2948910 0.83 FFAR1 (0.54) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2939675 0.82 FFAR1 (0.64) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2941508 0.82 MMP9 (0.65) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2946000 0.82 FFAR1 (0.60) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL13264702 0.81 FFAR1 (0.71) FFAR1SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL2949131 0.81 MMP9 (0.67) FFAR1SMN1; SMN2POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US claimed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US claimed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 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-20080176912-A1 GPR40 AGONISTS GPR119, GPR65, GPR55 FFAR1 8/4885SMN1; SMN2 3652/4885POLB 4593/4885

“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.