SCHEMBL7236704

SCHEMBL7236704

COC(=O)CCCc1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
METAP1 P53582 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN13 Q12923 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
NAMPT P43490 1/20 0.38
SLC16A3 O15427 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL10788317 0.88 LMNA (0.43) POLBLMNARXFP1METAP1ALDH1A1
SCHEMBL6502501 0.88 LMNA (0.43) POLBLMNARXFP1CNR2BRD9
SCHEMBL13980666 0.86 AKT1 (0.44) POLBLMNARXFP1METAP1ALDH1A1
SCHEMBL10789391 0.86 MTNR1A (0.43) POLBLMNARXFP1ALDH1A1MAPT
SCHEMBL10787789 0.86 LMNA (0.40) POLBLMNARXFP1METAP1CNR2
SCHEMBL4691306 0.85 TRPV1 (0.46) POLBLMNARXFP1METAP1ALDH1A1
SCHEMBL10785428 0.84 SLC16A3 (0.43) POLBLMNARXFP1MAPTCNR2
SCHEMBL14333034 0.84 TDP1 (0.44) POLBLMNARXFP1METAP1CNR2
SCHEMBL7398376 0.84 ALDH1A1 (0.36) LMNARXFP1ALDH1A1MAPTCNR2
SCHEMBL31415847 0.83 ALDH1A1 (0.50) POLBALDH1A1CYP1A2CYP2C19MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649634-B2 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER, INC. 2003-11-18 US disclosed
US-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 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 (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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM POLB 3068/4885LMNA 826/4885RXFP1 563/4885

“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.