SCHEMBL4450827

SCHEMBL4450827

CNC(CCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RIPK1 Q13546 1/20 0.44
HTR1D P28221 2/20 0.43
CPA3 P15088 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
OPRK1 P41145 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL24036793 0.82 NAALAD2 (0.37) ALDH1A1NAALAD2HTR1DANPEPENPEP
SCHEMBL19464263 0.82 TBXAS1 (0.55) CYP2C19
SCHEMBL12890269 0.82 MAPT (0.48) ALDH1A1RIPK1LMNAMAPTKDM4E
SCHEMBL4943739 0.81 NAALAD2 (0.46) ALDH1A1NAALAD2TSHRCYP1A2CYP2D6
SCHEMBL167045 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C19HTR1DLMNAMAPT
SCHEMBL2300538 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C19HTR1DLMNAMAPT
SCHEMBL1144429 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C19HTR1DLMNAMAPT
SCHEMBL27321292 0.80 ATM (0.46) ALDH1A1NAALAD2CYP1A2CYP2D6CYP2C19
SCHEMBL2267568 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL8722488 0.79 ALDH1A1 (0.51) ALDH1A1TSHRCYP2D6CYP2C19RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360707-A Thrombopoietin activity modulating compounds and methods LIGAND PHARM INC (US) 2009-02-04 CN claimed
WO-2009154804-A2 TWIN FLUOROPHORE PEPTIDE NUCLEIC ACID HYBRIDIZATION PROBES THOMAS JEFFERSON UNIVERSITY (US) 2009-12-23 WO disclosed
CN-101360707-A Thrombopoietin activity modulating compounds and methods LIGAND PHARM INC (US) 2009-02-04 CN disclosed
US-6921822-B2 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-02-12 US 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-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives HPD, GRHPR, CYP4B1 ALDH1A1 133/4885NAALAD2 1318/4885TSHR 3656/4885

“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.