SCHEMBL3552587

SCHEMBL3552587

CCCCNc1ccccc1CCc1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
CYP4A11 Q02928 2/20 0.49
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CKS1B P61024 1/20 0.48
SKP2 Q13309 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP4F2 P78329 1/20 0.48
CCR6 P51684 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
MGLL Q99685 2/20 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
SCHEMBL7777930 0.78 MAPT (0.52) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL8162236 0.78 ALDH1A1 (0.60) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL17322176 0.77 CYP4A11 (0.55) CYP4A11ALDH1A1CYP4F2MGLLCA1
SCHEMBL1792416 0.76 CYP4A11 (0.74) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL6261633 0.76 CYP4A11 (0.60) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL8324095 0.76 ALDH1A1 (0.69) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL8044139 0.75 CYP4A11 (0.75) CYP4A11ALDH1A1CYP4F2LOXL2MAPT
SCHEMBL10408180 0.74 POLB (0.46) TLR8CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL1928912 0.74 TSHR (0.67) CYP4A11CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL10397850 0.74 ALDH1A1 (0.56) CYP4A11CYP3A4ALDH1A1TP53CYP1A2

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 disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 TLR8 2286/4885TLR7 3178/4885CYP4A11 31/4885

“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.