SCHEMBL13184376

SCHEMBL13184376

COc1cc(C(C)C)c(C(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.54
▸ HSP90AB1 P08238 2/20 0.54
▸ POLB P06746 2/20 0.53
▸ HTT P42858 1/20 0.52
▸ LRRK2 Q5S007 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL14044152 0.85 HSP90AA1 (0.51) HSP90AA1LRRK2ALDH1A1KMT2A
SCHEMBL19657117 0.83 ALDH1A1 (0.58) HSP90AA1HSP90AB1POLBHTTLRRK2
SCHEMBL16200383 0.81 POLB (0.54) HSP90AA1POLBHTTLRRK2GAA
SCHEMBL21958460 0.78 HSP90AA1 (0.54) HSP90AA1HSP90AB1LRRK2GAAKDM4E
SCHEMBL15650406 0.77 KDM4E (0.57) HSP90AA1HTTLRRK2GAAKDM4E
SCHEMBL13066185 0.75 HPGD (0.45) POLBHTTGAAKDM4EALDH1A1
SCHEMBL13184310 0.75 ALDH1A1 (0.44) HTTGAAKDM4EALDH1A1MAPT
SCHEMBL11976993 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1GAAALDH1A1MAPT
SCHEMBL5079739 0.74 HSP90AA1 (0.56) HSP90AA1HSP90AB1HTTGAAKDM4E
SCHEMBL18929812 0.74 HSP90AA1 (0.66) HSP90AA1HSP90AB1LRRK2ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — 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-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HSP90AA1 1178/4885HSP90AB1 1526/4885POLB 2884/4885

“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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