SCHEMBL5568181

SCHEMBL5568181

CC(=O)N(c1ccccc1)C(CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
MLYCD O95822 1/20 0.38
PKM P14618 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CRHBP P24387 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
SCHEMBL5562666 0.85 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL4876557 0.77 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL7405523 0.77 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL7405520 0.77 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL607720 0.76 TRPA1 (0.44) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL607718 0.76 TRPA1 (0.44) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL10048323 0.75 ALDH1A1 (0.50) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL11249889 0.74 LMNA (0.49) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL10398307 0.74 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL11261967 0.74 LMNA (0.49) ALDH1A1LMNATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183443-B2 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2007-02-27 US disclosed
US-20050215822-A1 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2005-09-29 US disclosed
EP-1492760-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP Assets B.V. (NL) 2005-01-05 EP disclosed
WO-2003087033-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-10-23 WO 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-20050215822-A1 Process for the preparation of enantiomerically enriched compounds ADH1C, ADH1A, ADH5 ALDH1A1 66/4885LMNA 4368/4885TP53 3903/4885

“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.