SCHEMBL6448431

SCHEMBL6448431

COC(=O)CCC(=O)C1=CC=CCC1=S

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN13 Q12923 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3960477 0.87 KMT2A (0.35) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL7180513 0.85 CYP4F2 (0.36) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL4447139 0.79
SCHEMBL3958590 0.77 GAA (0.41) TSHRALDH1A1MAPTKMT2AKDM4E
SCHEMBL5160584 0.77
SCHEMBL7516468 0.77
SCHEMBL16014041 0.76 CRHBP (0.41) TSHRLMNAMAPTKMT2AHSD17B10
SCHEMBL2572905 0.76 MEN1 (0.31) KMT2A
SCHEMBL11002171 0.76 LMNA (0.40) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL3962659 0.76 PTPRC (0.30) PTPRC

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-6921822-B2 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-26 US claimed
US-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
EP-1369410-A1 Process for the stereoselective reduction of derivatives of 4-aryl-4-oxobutyric acid BAYER AG (DE) 2003-12-10 EP claimed

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-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives HPD, GRHPR, CYP4B1 TSHR 3656/4885ALDH1A1 133/4885LMNA 4644/4885

“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.