SCHEMBL3754507

SCHEMBL3754507

CCCCCC(C)C(N)(NC(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
POLB P06746 1/20 0.38
KIF11 P52732 3/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
CSNK1E P49674 1/20 0.36
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8489187 0.76 MAPT (0.45) CNR2CYP2D6ALDH1A1PRSS1CTSG
SCHEMBL28469779 0.73 ALDH1A1 (0.43) CNR2CYP1A2CYP2D6ALDH1A1PRSS1
SCHEMBL29010715 0.71 ALDH1A1 (0.42) CNR2CYP1A2CYP2D6ALDH1A1PRSS1
SCHEMBL17715572 0.71 CYP1A2 (0.47) CYP1A2CYP2D6KIF11HDAC8HDAC3
SCHEMBL27561773 0.70 ALDH1A1 (0.44) CNR2CYP1A2CYP2D6ALDH1A1PRSS1
SCHEMBL18568357 0.70 ALDH1A1 (0.44) CNR2CYP1A2CYP2D6ALDH1A1PRSS1
Hydrogen Peroxide SCHEMBL9456660 0.70 ALDH1A1 (0.46) CNR2CYP2D6ALDH1A1PRSS1CTSG
SCHEMBL27556298 0.70 CSNK1E (0.38) CNR2CYP2D6ALDH1A1PRSS1CTSG
SCHEMBL3754503 0.69 GAA (0.42) CYP1A2ALDH1A1KIF11
Benzoic Acid SCHEMBL9012535 0.69 PRSS1 (0.47) ALDH1A1PRSS1CTSGCTRB1CMA1

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 CNR2 1712/4885CYP1A2 1742/4885CYP2D6 1791/4885

“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.