SCHEMBL6024752

SCHEMBL6024752

C=CCC(C=O)(CCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3947952 0.83 FFAR3 (0.32) ALDH1A1
SCHEMBL7135641 0.79 MEN1 (0.33) ALDH1A1
SCHEMBL11042472 0.74
SCHEMBL28248190 0.74 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL6833803 0.73 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL11813029 0.72 TSHR (0.38) ALDH1A1TSHR
SCHEMBL11039115 0.72 CES2 (0.30)
SCHEMBL11043795 0.72
SCHEMBL11043798 0.72
SCHEMBL15442979 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083635-A1 PROCESS FOR THE PREPARTION OF ε-CAPROLACTAM DSM IP ASSETS B.V. (NL) 2002-10-24 WO claimed
WO-2002083618-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR FORMING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO claimed
EP-1383718-B1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS BV (NL) 2006-06-28 EP disclosed
US-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation DSM I.P. ASSETS B.V. (NL) 2004-07-15 US disclosed
EP-1383718-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP Assets B.V. (NL) 2004-01-28 EP disclosed
WO-2002083635-A1 PROCESS FOR THE PREPARTION OF ε-CAPROLACTAM DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
WO-2002083618-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR FORMING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
WO-2002083605-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP disclosed
EP-1249444-A1 Continuous hydroformylation process for forming an aldehyde DSM N.V. (NL) 2002-10-16 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-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation VAPB, VAPA, MVD ALDH1A1 343/4885TSHR 3352/4885

“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.