SCHEMBL3554041

SCHEMBL3554041

COC(=O)c1ccccc1CCCCO

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
DHODH Q02127 1/20 0.55
CYP4A11 Q02928 3/20 0.53
CYP4F2 P78329 2/20 0.53
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.49
HSD17B10 Q99714 2/20 0.47
CFTR P13569 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 1/20 0.46
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.46
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
HTT P42858 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
SCHEMBL2655008 0.98 ALDH1A1 (0.62) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL5253878 0.98 ALDH1A1 (0.62) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL383349 0.95 ALDH1A1 (0.66) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL2655484 0.88 ALDH1A1 (0.70) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL28106654 0.87 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL10360804 0.86 ALDH1A1 (0.77) ALDH1A1LMNAKDM4EGLATSHR
SCHEMBL29148965 0.85 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL5253873 0.85 ALDH1A1 (0.62) ALDH1A1LMNADHODHKDM4EGLA
SCHEMBL11552750 0.85 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL3553354 0.85 ALDH1A1 (0.62) ALDH1A1LMNADHODHKDM4EGLA

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 61/4885LMNA 2120/4885DHODH 433/4885

“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.