SCHEMBL4610375

SCHEMBL4610375

COC(=O)C(C(C)=O)C(C)C(C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CA14 Q9ULX7 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL13220417 0.88 SMN1; SMN2 (0.54) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL5799030 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL14656273 0.81 SMN1; SMN2 (0.52) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL11422036 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL856080 0.78 SMN1; SMN2 (0.61) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL2855909 0.78 SMN1; SMN2 (0.57) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL11648465 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL17953987 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL12873399 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CA14ALDH1A1CA12CYP3A4
SCHEMBL4612284 0.73 TP53 (0.36) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238962-B1 A process for the preparation of michael-adducts FIRMENICH & CIE (CH) 2008-02-27 EP claimed
US-6686498-B2 REACTING AN ALPHA, BETA-DISUBSTITUTED, OR AN ALPHA, BETA, BETA-TRISUBSTITUTED, ALPHA, BETA-UNSATURATED KETONE WITH A BETA-KETOESTER OR A BETA-DIKETONE; COUPLING; BYPRODUCT INHIBITION FIRMENICH SA (CH) 2004-02-03 US claimed
US-20020128504-A1 Process for the preparation of Michael-adducts FIRMENICH SA (CH) 2002-09-12 US claimed
EP-1238962-A1 A process for the preparation of michael-adducts FIRMENICH SA (CH) 2002-09-11 EP claimed
EP-1238962-B1 A process for the preparation of michael-adducts FIRMENICH & CIE (CH) 2008-02-27 EP disclosed
US-6686498-B2 REACTING AN ALPHA, BETA-DISUBSTITUTED, OR AN ALPHA, BETA, BETA-TRISUBSTITUTED, ALPHA, BETA-UNSATURATED KETONE WITH A BETA-KETOESTER OR A BETA-DIKETONE; COUPLING; BYPRODUCT INHIBITION FIRMENICH SA (CH) 2004-02-03 US disclosed
US-20020128504-A1 Process for the preparation of Michael-adducts FIRMENICH SA (CH) 2002-09-12 US disclosed
EP-1238962-A1 A process for the preparation of michael-adducts FIRMENICH SA (CH) 2002-09-11 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-20020128504-A1 Process for the preparation of Michael-adducts AKR1A1, AKR1B1, AKR1B10 SMN1; SMN2 3004/4885CA14 2337/4885ALDH1A1 24/4885

“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.