SCHEMBL20985185

SCHEMBL20985185

CC(C)(C)C1CC(Oc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HRH3 Q9Y5N1 6/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ACACB O00763 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPY1R P25929 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL19610193 0.79 SMN1; SMN2 (0.53) KDM4ECHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL15233904 0.78 HRH3 (0.39) HRH3ACACB
SCHEMBL15234020 0.78 HRH3 (0.39) KDM4EALDH1A1LMNAHRH3ACACB
SCHEMBL15233906 0.78 HRH3 (0.39) HRH3ACACB
SCHEMBL15233989 0.78 ACACB (0.37) LMNAHRH3ACACB
SCHEMBL15234022 0.78 HRH3 (0.39) HRH3ACACB
SCHEMBL15233988 0.78 ACACB (0.37) LMNAHRH3ACACB
SCHEMBL15234336 0.78 MCHR1 (0.36) LMNAHRH3ACACB
SCHEMBL15380826 0.77 FAAH (0.46) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL19610351 0.76 FAAH (0.52) KDM4EALDH1A1LMNAHRH3HTT

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-20190152987-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-05-23 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-20190152987-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, DOT1L KDM4E 25/4885CHRNB2 2613/4885CHRNA5 1487/4885

“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.