SCHEMBL3559504

SCHEMBL3559504

O=C(CCC1CCCC1)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.48
LMNA P02545 4/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 1/20 0.43
LDLR P01130 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
SCHEMBL3557480 0.83 CYP2C19 (0.62) ALDH1A1HTTHPGDSMN1; SMN2NPC1
SCHEMBL3558113 0.82 SMN1; SMN2 (0.55) ALDH1A1NPSR1HPGDSMN1; SMN2NPC1
SCHEMBL3557542 0.82 GAA (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3557411 0.81 SMN1; SMN2 (0.57) ALDH1A1NPSR1HPGDSMN1; SMN2NPC1
SCHEMBL3559044 0.80 POLB (0.62) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3556661 0.79 L3MBTL1 (0.65) ALDH1A1HTTHPGDSMN1; SMN2NPC1
SCHEMBL3553707 0.79 L3MBTL1 (0.58) PKML3MBTL1GAACYP2C19
SCHEMBL3557828 0.79 PKM (0.54) ALDH1A1HTTHPGDSMN1; SMN2NPC1
SCHEMBL3562001 0.78 GAA (0.60) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3559669 0.78 TP53 (0.59) L3MBTL1GAA

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 ALDH1A1 61/4885HTT 3739/4885NPSR1 2156/4885

“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.