SCHEMBL3553354

SCHEMBL3553354

COC(=O)c1ccccc1CCCCBr

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
DHODH Q02127 1/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.46
CFTR P13569 1/20 0.46
HIF1A Q16665 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
SLC6A3 Q01959 2/20 0.44
SLC16A3 O15427 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 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
SCHEMBL6621914 0.95 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL1918904 0.88 ALDH1A1 (0.68) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL31567935 0.88 ALDH1A1 (0.68) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL3554041 0.85 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL28106654 0.85 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL11636653 0.84 TSHR (0.59) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL10499238 0.84 LMNA (0.63) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL10360804 0.84 ALDH1A1 (0.77) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL7546616 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL5253873 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10

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.