SCHEMBL12923328

SCHEMBL12923328

CN1CCCC(CC(=O)O)(NC(=O)c2ccc(CCc3ccccc3)o2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ LPAR1 Q92633 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 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
Trifluoroacetic Acid SCHEMBL980207 0.94 SLC6A9 (0.37) PRSS1PRSS2PRSS3KDM4EGAA
SCHEMBL977640 0.91 OPRM1 (0.38) PRSS1PRSS2PRSS3KDM4EGAA
SCHEMBL977848 0.89 KMT2A (0.37) KDM4ETSHRMAPT
SCHEMBL980208 0.86 SLC6A9 (0.35) PRSS1PRSS2PRSS3TAAR1TSHR
SCHEMBL12923331 0.80 TAAR1 (0.36) PRSS1PRSS2PRSS3TAAR1LPAR1
SCHEMBL12923305 0.79 TAAR1 (0.39) PRSS1PRSS2PRSS3TAAR1LPAR1
SCHEMBL982241 0.76 OPRM1 (0.42) PKMCHRM5CHRM3POLBSCN1A
Trifluoroacetic Acid SCHEMBL979474 0.74 ALDH1A1 (0.33) PRSS1PRSS2PRSS3KDM4ETAAR1
Trifluoroacetic Acid SCHEMBL978104 0.73 ALDH1A1 (0.35) PRSS1PRSS2PRSS3KDM4ETAAR1
Iodide SCHEMBL15590042 0.71 CTDSP1 (0.34) PRSS1PRSS2PRSS3KDM4ETAAR1

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-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 PRSS1 992/4885PRSS2 1850/4885PRSS3 2122/4885

“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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