SCHEMBL20710527

SCHEMBL20710527

CC(C)n1c(=O)ccc2ccc(OCCN(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CCND2 P30279 2/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL20754017 0.84 MAOB (0.43) CDK4CCND1CCND2CCND3MAOB
SCHEMBL19231457 0.82 KDM4E (0.51) KDM4EALDH1A1CDK4CCND1CCND2
SCHEMBL13322653 0.78 ATM (0.51) KDM4EALDH1A1MCHR1ATMMAOB
SCHEMBL19212805 0.77 KDM4E (0.46) KDM4EALDH1A1CDK4CCND1CCND2
SCHEMBL19250689 0.77 KDM4E (0.46) KDM4EALDH1A1CDK4CCND1CCND2
SCHEMBL19212713 0.76 CDK4 (0.46) KDM4EALDH1A1CDK4CCND1CCND2
SCHEMBL20753952 0.73 BRD4 (0.39) ALDH1A1ATMHPGD
SCHEMBL13153192 0.73 MAPK14 (0.46) KDM4EALDH1A1CDK4CCND1CCND2
SCHEMBL16519372 0.72 CDK4 (0.47) CDK4CCND1CCND2CCND3MAOB
SCHEMBL13354919 0.71 BRPF1 (0.53) KDM4EALDH1A1MCHR1CHRNB2CHRNA4

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-20190040083-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-07 — — 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-20190040083-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD KDM4E 3569/4885ALDH1A1 2206/4885CDK4 485/4885

“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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