SCHEMBL3553021

SCHEMBL3553021

COC(=O)c1ccccc1CCCCCc1ccccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HSD17B10 Q99714 5/20 0.60
CFTR P13569 1/20 0.60
LMNA P02545 2/20 0.59
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 5/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
RCE1 Q9Y256 1/20 0.45
POLB P06746 2/20 0.44
HIF1A Q16665 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
SLC16A3 O15427 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3558813 0.95 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNADHODH
SCHEMBL28294386 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL5253878 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNADHODH
SCHEMBL28106172 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL5253873 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNADHODH
SCHEMBL28280178 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNADHODH
SCHEMBL2655008 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNADHODH
SCHEMBL29148965 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL11552750 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL9305145 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRLMNADHODH

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 ALDH1A1 61/4885HSD17B10 236/4885CFTR 1937/4885

“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.