SCHEMBL3683754

SCHEMBL3683754

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)c1ccc(C#Cc2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CRAT P43155 1/20 0.43
ACACB O00763 1/20 0.39
CPT2 P23786 3/20 0.38
CPT1A P50416 3/20 0.38
CPT1B Q92523 3/20 0.38
CHRNA4 P43681 1/20 0.38
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3683757 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAL3MBTL1CRAT
SCHEMBL13409928 0.91 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAL3MBTL1ACACB
SCHEMBL3686893 0.86 CPT2 (0.45) CRATCPT2CPT1ACPT1B
SCHEMBL3686891 0.86 CPT2 (0.45) CRATCPT2CPT1ACPT1B
SCHEMBL3688358 0.86 CRAT (0.40) ALDH1A1KDM4ELMNAL3MBTL1CRAT
SCHEMBL3688363 0.86 CRAT (0.40) ALDH1A1KDM4ELMNAL3MBTL1CRAT
SCHEMBL3681659 0.82 CPT2 (0.60) ACACBCPT2CPT1ACPT1B
SCHEMBL3681655 0.82 CPT2 (0.60) ACACBCPT2CPT1ACPT1B
SCHEMBL3687169 0.82 CRAT (0.49) CRAT
SCHEMBL3687172 0.82 CRAT (0.49) CRAT

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 ALDH1A1 236/4885KDM4E 1405/4885LMNA 2918/4885

“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.