SCHEMBL12923308

SCHEMBL12923308

C[N+]1(C)CCC(CC(=O)O)(NC(=O)c2ccc(C#Cc3ccccc3)o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL978175 0.93 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1NPSR1
Iodide SCHEMBL979604 0.88 KDM4E (0.45) KDM4EALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL978176 0.85 KDM4E (0.43) KDM4EALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL15623160 0.83 KDM4E (0.49) KDM4EALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL12923305 0.80 TAAR1 (0.39) ALDH1A1LMNAMEN1KMT2APRSS1
Trifluoroacetic Acid SCHEMBL979997 0.78 KDM4E (0.44) KDM4EALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL978042 0.75 KDM4E (0.46) KDM4EALDH1A1LMNAL3MBTL1NPSR1
Iodide SCHEMBL3940489 0.74 ALDH1A1 (0.52) KDM4EALDH1A1LMNAL3MBTL1NPSR1
Trifluoroacetic Acid SCHEMBL978104 0.73 ALDH1A1 (0.35) KDM4EALDH1A1LMNAPRSS1PRSS2
Hydrochloric Acid SCHEMBL980211 0.72 KDM4E (0.47) KDM4EALDH1A1LMNAL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — US disclosed
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 KDM4E 1974/4885ALDH1A1 196/4885LMNA 3381/4885

“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.

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