SCHEMBL3686496

SCHEMBL3686496

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)c1cccc(CCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRAT P43155 1/20 0.47
CTRB1 P17538 2/20 0.44
CTSG P08311 1/20 0.44
HPGD P15428 1/20 0.43
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
CPT1B Q92523 2/20 0.42
KAT6A Q92794 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3686493 1.00 CRAT (0.47) CRATCTRB1CTSGHPGDCPT2
SCHEMBL13444645 0.91 CTRB1 (0.46) CTRB1CTSGHPGDKAT6AALDH1A1
SCHEMBL3687565 0.89 CRAT (0.50) CRATCTRB1CTSGHPGDCPT2
SCHEMBL3687568 0.89 CRAT (0.50) CRATCTRB1CTSGHPGDCPT2
SCHEMBL10414824 0.86 CRAT (0.58) CRATCTRB1CTSGHPGDCPT2
SCHEMBL10414822 0.86 CRAT (0.58) CRATCTRB1CTSGHPGDCPT2
SCHEMBL3680337 0.83 ACACB (0.46) CRATCPT2CPT1ACPT1B
SCHEMBL3680338 0.83 ACACB (0.46) CRATCPT2CPT1ACPT1B
SCHEMBL3694531 0.80 CRAT (0.45) CRATHPGDCPT2CPT1ACPT1B
SCHEMBL3694527 0.80 CRAT (0.45) CRATHPGDCPT2CPT1ACPT1B

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 CRAT 5/4885CTRB1 1053/4885CTSG 2515/4885

“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.