SCHEMBL3556618

SCHEMBL3556618

CC(C)CC(=O)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
PKM P14618 1/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 2/20 0.52
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
RARB P10826 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CASP6 P55212 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL3555523 0.84 TSHR (0.56) PKMLMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL3557542 0.84 GAA (0.56) POLBPKMLMNASMN1; SMN2L3MBTL1
SCHEMBL3556661 0.84 L3MBTL1 (0.65) POLBPKMLMNASMN1; SMN2MAPT
SCHEMBL3557828 0.83 PKM (0.54) POLBPKMLMNASMN1; SMN2MAPK1
SCHEMBL3557480 0.83 CYP2C19 (0.62) POLBPKMLMNASMN1; SMN2MAPT
SCHEMBL3562001 0.83 GAA (0.60) PKMLMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL3559044 0.82 POLB (0.62) POLBPKMLMNASMN1; SMN2MAPT
SCHEMBL3553707 0.81 L3MBTL1 (0.58) POLBPKML3MBTL1RARBTSHR
SCHEMBL3559976 0.81 PKM (0.60) PKMLMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL3554086 0.81 PKM (0.56) POLBPKMLMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 POLB 3962/4885PKM 990/4885LMNA 2120/4885

“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.