SCHEMBL4629345

SCHEMBL4629345

C=CC[C@@H](NC(C)=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CNR2 P34972 1/20 0.37
TGM2 P21980 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
SCHEMBL31316702 0.86 CYP1A2 (0.59) POLBCYP1A2ALDH1A1LMNACNR2
SCHEMBL21009509 0.84 ATM (0.51) CYP1A2KDM4ECNR2
SCHEMBL4629199 0.84 CYP2C19 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4630091 0.81 SMN1; SMN2 (0.41) CYP1A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4630103 0.78 PRNP (0.51) POLB
SCHEMBL4630107 0.78 PRNP (0.51) POLB
SCHEMBL446820 0.77 CYP1A2 (0.36) POLBCYP1A2HTTALDH1A1
SCHEMBL432667 0.77 CYP1A2 (0.36) POLBCYP1A2HTTALDH1A1
SCHEMBL28304756 0.76 POLB (0.43) POLBCYP1A2HTTFAAHALDH1A1
SCHEMBL28502600 0.76 CTSA (0.39) ALDH1A1LMNA

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-1694630-B1 METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEM AUSTRIA GMBH (AT) 2008-05-07 EP disclosed
US-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-31 US disclosed
EP-1694630-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2006-08-30 EP disclosed
WO-2005063682-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 POLB 248/4885CYP1A2 186/4885HTT 3623/4885

“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.