SCHEMBL13964520

SCHEMBL13964520

CCOCCCC(=O)N1CCC(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GNAI3 P08754 8/20 0.46
▸ GNAO1 P09471 8/20 0.46
▸ GNAI1 P63096 8/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL7485454 0.82 GNAI3 (0.60) NPC1GNAI3GNAO1GNAI1MEN1
SCHEMBL21309873 0.82 DPP4 (0.43) NPC1RAB9AALDH1A1TSHRGNAI3
SCHEMBL7490420 0.81 GNAI3 (0.68) NPC1GNAI3GNAO1GNAI1MEN1
SCHEMBL13939945 0.81 NPC1 (0.49) NPC1RAB9AALDH1A1TSHRGNAI3
SCHEMBL8642325 0.79 GNAI3 (0.71) NPC1GNAI3GNAO1GNAI1MEN1
SCHEMBL22147028 0.79 GNAI3 (0.71) NPC1GNAI3GNAO1GNAI1MEN1
SCHEMBL10035 0.78 NPC1 (0.52) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL12410266 0.78 NPC1 (0.62) NPC1RAB9AALDH1A1GNAI3GNAO1
SCHEMBL6437826 0.77 NPC1 (0.55) NPC1GNAI3GNAO1GNAI1MEN1
SCHEMBL13258370 0.77 NPC1 (0.55) NPC1GNAI3GNAO1GNAI1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 — — 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA NPC1 4649/4885RAB9A 4553/4885ALDH1A1 1102/4885

“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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