SCHEMBL977848

SCHEMBL977848

CCOC(=O)CC1(NC(=O)c2ccc(CCc3ccccc3)o2)CCCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL977640 0.92 OPRM1 (0.38) NPC1RAB9AALDH1A1TSHROPRM1
SCHEMBL982241 0.89 OPRM1 (0.42) KMT2AKCNA3NPC1RAB9AOPRM1
SCHEMBL12923328 0.89 PRSS1 (0.38) TSHRMAPTKDM4E
SCHEMBL980208 0.86 SLC6A9 (0.35) ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL980207 0.84 SLC6A9 (0.37) ALDH1A1TSHRKDM4E
Iodide SCHEMBL977791 0.80 GAA (0.37) KMT2AALDH1A1TSHROPRM1OPRD1
Iodide SCHEMBL15590042 0.72 CTDSP1 (0.34) ALDH1A1TSHRMAPTKDM4E
SCHEMBL979605 0.72 SPHK1 (0.50) —
SCHEMBL978042 0.72 KDM4E (0.46) KMT2AALDH1A1TSHROPRM1OPRD1
SCHEMBL12923331 0.69 TAAR1 (0.36) KMT2AALDH1A1MEN1MAPTSMN1; SMN2

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 KMT2A 1063/4885KCNA3 4670/4885NPC1 85/4885

“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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