SCHEMBL4149074

SCHEMBL4149074

COC[C@H](O)CNCCCCNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 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
SCHEMBL4140218 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL30786011 0.82 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL13872442 0.80 MAOA (0.54) KDM4EALDH1A1KMT2AADRB2
SCHEMBL13872475 0.80 MAOA (0.54) KDM4EALDH1A1KMT2AADRB2
SCHEMBL4774970 0.80 LMNA (0.46) KDM4EALDH1A1KMT2ATSHR
SCHEMBL28466833 0.80 CYP3A4 (0.37) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL15664525 0.80 CYP2C19 (0.48) KDM4EALDH1A1CYP3A4CYP2D6ATM
SCHEMBL23095680 0.79 KDM4E (0.40) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL22729315 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL29169706 0.77 ANPEP (0.45) KDM4EALDH1A1KMT2AMAPTPOLB

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 KDM4E 1551/4885ALDH1A1 1565/4885KMT2A 2725/4885

“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.