SCHEMBL979999

SCHEMBL979999

O=C(CC1(NC(=O)c2ccc(C#Cc3ccccc3)o2)CNC1)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRNA4 P43681 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRSS1 P07477 5/20 0.34
▸ PRSS2 P07478 5/20 0.34
▸ PRSS3 P35030 5/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ACACB O00763 1/20 0.32

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 SCHEMBL979997 0.87 KDM4E (0.44) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL978176 0.86 KDM4E (0.43) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL15623160 0.84 KDM4E (0.49) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
Hydrochloric Acid SCHEMBL980211 0.83 KDM4E (0.47) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
Trifluoroacetic Acid SCHEMBL978175 0.71 KDM4E (0.42) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL978042 0.70 KDM4E (0.46) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
Iodide SCHEMBL979604 0.70 KDM4E (0.45) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL979954 0.69 KDM4E (0.42) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL12923308 0.69 KDM4E (0.48) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4
SCHEMBL980208 0.66 SLC6A9 (0.35) ALDH1A1TSHRPRSS1PRSS2PRSS3

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-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

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 ALDH1A1 196/4885KDM4E 1974/4885LMNA 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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