SCHEMBL3554593

SCHEMBL3554593

O=C(COCc1ccccc1)Nc1ccccc1CCCCCc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.57
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HDAC3 O15379 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8482565 0.85 KDM4E (0.73) KDM4EPOLBALDH1A1L3MBTL1HCAR2
SCHEMBL3557628 0.84 SLC16A3 (0.64) SLC16A3KDM4EPOLBALDH1A1HCAR2
SCHEMBL3554088 0.84 SLC16A3 (0.63) SLC16A3KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3553367 0.83 SLC16A3 (0.59) SLC16A3KDM4EPOLBALDH1A1L3MBTL1
SCHEMBL3558553 0.83 SLC16A3 (0.62) SLC16A3KDM4EPOLBHCAR2SMN1; SMN2
SCHEMBL3561577 0.81 SLC16A3 (0.66) SLC16A3KDM4EMEN1KMT2ALMNA
SCHEMBL3554353 0.81 SLC16A3 (0.66) SLC16A3KDM4EALDH1A1HCAR2MEN1
SCHEMBL3555542 0.80 SLC16A3 (0.68) SLC16A3KDM4EPOLBALDH1A1KMT2A
SCHEMBL3555106 0.79 SLC16A3 (0.63) SLC16A3KDM4EALDH1A1HCAR2HSD17B10
SCHEMBL3553748 0.78 SLC16A3 (0.65) SLC16A3ALDH1A1MEN1KMT2AHDAC3

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 SLC16A3 425/4885KDM4E 1045/4885POLB 3962/4885

“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.