SCHEMBL11249889

SCHEMBL11249889

CC(=O)N(c1ccccc1)[C@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.46
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
MLYCD O95822 1/20 0.41
PKM P14618 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.39
APAF1 O14727 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL1061794 1.00 LMNA (0.49) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL2968427 1.00 LMNA (0.49) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8040628 0.98 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8040626 0.98 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2TP53MAPT
Ammonia Solution, Strong SCHEMBL28025615 0.98 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2TP53MAPT
Phosphine SCHEMBL27800452 0.93 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8709766 0.86 LMNA (0.47) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8709763 0.86 LMNA (0.47) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL2342911 0.86 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL4607473 0.86 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TP53MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
US-4356324-A CHIRAL LIGANDS FOR RHODIUM HYDROGENATION CATALYSTS DEGUSSA AKTIENGESELLSCHAFT, A GERMAN CORP. (DE) 1982-10-26 US disclosed
EP-0031877-A1 Optically active 1,2-Bis-(diphenylphosphino)-compounds, metal complexes containing them as chiral ligands and their use Degussa Aktiengesellschaft (DE) 1981-07-15 EP 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-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 LMNA 1855/4885ALDH1A1 1217/4885SMN1; SMN2 2411/4885

“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.