SCHEMBL6071600

SCHEMBL6071600

CC(C)(C)OC(=O)N1CCCC1c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
HSP90AA1 P07900 3/20 0.54
HSP90AB1 P08238 3/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ROCK2 O75116 1/20 0.47
PPID Q08752 1/20 0.47
PPIG Q13427 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RIPK1 Q13546 1/20 0.46
NPC1 O15118 1/20 0.45
STS P08842 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
UCHL1 P09936 1/20 0.44

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
SCHEMBL31444419 1.00 TSHR (0.55) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL20170496 0.86 HSP90AA1 (0.56) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL23579324 0.85 RIPK1 (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL22165572 0.85 RIPK1 (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL29748129 0.85 RIPK1 (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL9025358 0.85 TSHR (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL9025348 0.85 TSHR (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL9025370 0.85 TSHR (0.47) TSHRHSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL28961568 0.85 ALDH1A1 (0.59) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL19174905 0.84 RIPK1 (0.46) TSHRHSP90AA1HSP90AB1LMNAALDH1A1

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TSHR 317/4885HSP90AA1 2007/4885HSP90AB1 1962/4885

“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.