SCHEMBL4889036

SCHEMBL4889036

COc1ccc(C(CC(=O)O)NCc2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.54
TNF P01375 2/20 0.53
HIF1A Q16665 1/20 0.52
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL4889095 1.00 POLB (0.62) POLBSMN1; SMN2KMT2ATNFHIF1A
SCHEMBL4889020 1.00 POLB (0.62) POLBSMN1; SMN2KMT2ATNFHIF1A
SCHEMBL4854018 0.91 TNF (0.53) POLBSMN1; SMN2KMT2ATNFHIF1A
SCHEMBL4886486 0.87 KMT2A (0.60) POLBSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL4890501 0.87 KMT2A (0.60) POLBSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL4886493 0.87 KMT2A (0.60) POLBSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL4848590 0.87 SMN1; SMN2 (0.50) POLBSMN1; SMN2KMT2ATNFHIF1A
SCHEMBL4889119 0.83 POLB (0.63) POLBSMN1; SMN2KMT2ATNFLMNA
SCHEMBL4875725 0.83 POLB (0.63) POLBSMN1; SMN2KMT2ATNFLMNA
SCHEMBL4875740 0.83 POLB (0.63) POLBSMN1; SMN2KMT2ATNFLMNA

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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 POLB 2773/4885SMN1; SMN2 4168/4885KMT2A 4504/4885

“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.