SCHEMBL3596227

SCHEMBL3596227

COc1ccc2c(c1)C(/C=C/C(=C/C(=O)O)c1ccccc1)=CC(C)(C)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
KLF5 Q13887 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
BCHE P06276 2/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3596221 1.00 RAB9A (0.39) RAB9ANPC1MEN1KMT2APKM
SCHEMBL3596228 1.00 RAB9A (0.39) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2316354 0.89 RAB9A (0.48) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2316356 0.89 RAB9A (0.48) RAB9ANPC1MEN1KMT2APKM
Oxeglitazar SCHEMBL1547427 0.87 RXRA (0.41) RAB9ANPC1PKMCYP19A1MAPT
Oxeglitazar SCHEMBL29372761 0.87 RXRA (0.41) RAB9ANPC1PKMCYP19A1MAPT
Oxeglitazar SCHEMBL3605899 0.87 RXRA (0.41) RAB9ANPC1PKMCYP19A1MAPT
Oxeglitazar SCHEMBL1547425 0.87 RXRA (0.41) RAB9ANPC1PKMCYP19A1MAPT
SCHEMBL3606361 0.84 HTR1A (0.35) RAB9ANPC1KMT2ACYP19A1MAPT
SCHEMBL3609514 0.84 HTR1A (0.35) RAB9ANPC1KMT2ACYP19A1MAPT

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-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US claimed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US claimed
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 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 (2 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-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia XDH, URB2, ALOX12 RAB9A 4294/4885NPC1 1462/4885MEN1 3894/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RAB9A 4294/4885NPC1 1462/4885MEN1 3894/4885

“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.