SCHEMBL6080084

SCHEMBL6080084

CC(C)(C)OC(=O)c1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.62
▸ ALDH1A1 P00352 4/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CHRM2 P08172 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ SCN1A P35498 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ SCN2A Q99250 1/20 0.61
▸ SIGMAR1 Q99720 1/20 0.61
▸ SCN3A Q9NY46 1/20 0.61
▸ LMNA P02545 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ GAA P10253 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ THRB P10828 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL6195663 0.85 HRH3 (0.61) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL5214308 0.84 HRH3 (0.72) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL9530115 0.83 ALDH1A1 (0.81) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL13949485 0.82 EPHX2 (0.67) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL1242965 0.82 HRH3 (0.70) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL29973108 0.81 HRH3 (0.69) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL1244065 0.81 HRH3 (0.69) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL63569 0.80 SMN1; SMN2 (0.72) HRH3ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL23291210 0.79 HRH3 (0.53) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL14058776 0.79 HRH3 (0.73) HRH3ALDH1A1MAPK1CYP1A2CHRM2

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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors SCHERING AKTIENGESELLSCHAFT 2006-04-13 — — 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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 HRH3 3944/4885ALDH1A1 2553/4885MAPK1 1221/4885

“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.

Send feedback