SCHEMBL4142104

SCHEMBL4142104

CC1(C)O[C@H](CNC(=O)O)[C@@H](CN2C(=O)c3ccccc3C2=O)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL13872391 0.84 DRD2 (0.41) LMNAALDH1A1
SCHEMBL3782873 0.81 ALDH1A1 (0.43) CA12CA9LMNAALDH1A1MEN1
SCHEMBL3775347 0.78 ALDH1A1 (0.46) CA12CA9LMNAALDH1A1MEN1
SCHEMBL4773233 0.76 KMT2A (0.38) CA12CA9LMNAALDH1A1MEN1
SCHEMBL16418145 0.75 CASP3 (0.42) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL3777727 0.74 ACHE (0.44) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL13872386 0.72 ALDH1A1 (0.38) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL15457913 0.72 ALDH1A1 (0.36) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL17983228 0.72 ALDH1A1 (0.52) CA12CA9LMNAALDH1A1ACHE
SCHEMBL3780544 0.72 LMNA (0.41) LMNAALDH1A1MEN1KMT2APOLB

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 CA12 2237/4885CA9 2405/4885LMNA 3671/4885

“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.