SCHEMBL21667940

SCHEMBL21667940

CCCC(C)(C)COCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LTA4H P09960 1/20 0.38
MAOB P27338 3/20 0.38
PSMB1 P20618 2/20 0.37
PSMB5 P28074 2/20 0.37
PSMB2 P49721 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21667967 0.90 LTA4H (0.43) HRH3LTA4HMAOB
SCHEMBL21667821 0.88 LTA4H (0.45) ALDH1A1HRH3LTA4HMAOB
SCHEMBL21941329 0.85 HRH3 (0.43) KDM4EALDH1A1HRH3SMN1; SMN2MAOB
SCHEMBL19669285 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HRH3SMN1; SMN2LMNA
SCHEMBL29307669 0.84 HRH3 (0.44) HRH3MAOBPSMB1PSMB5PSMB2
SCHEMBL21743241 0.83 HRH3 (0.39) KDM4EALDH1A1HRH3SMN1; SMN2LTA4H
SCHEMBL10223194 0.79 KDM4E (0.43) KDM4EALDH1A1HRH3SMN1; SMN2MAOB
SCHEMBL12331214 0.78
SCHEMBL18650122 0.77 PSMB1 (0.45) KDM4EALDH1A1HRH3SMN1; SMN2MAOB
SCHEMBL18403142 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HRH3LTA4HHTT

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-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 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-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 KDM4E 292/4885ALDH1A1 282/4885HRH3 1654/4885

“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.