SCHEMBL12379948

SCHEMBL12379948

C/C=C(\C)CCCC(C)(C)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL12379950 1.00 GAA (0.41) GAACYP1A1CYP1B1
SCHEMBL12394140 0.84 GAA (0.37) GAA
SCHEMBL18342582 0.78 ACLY (0.42) GAA
SCHEMBL18342581 0.78 ACLY (0.42) GAA
SCHEMBL1170763 0.77 GAA (0.37) GAA
SCHEMBL9138775 0.76 GAA (0.56) GAA
SCHEMBL12060125 0.75 GAA (0.46) GAA
SCHEMBL21560981 0.74 LMNA (0.44) GAA
SCHEMBL12060187 0.74 GAA (0.45) GAA
SCHEMBL19333419 0.73 TSHR (0.46) GAA

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
US-8003838-B2 1,4-hydrogenation of dienes with Ru complexes FIRMENICH SA (CH) 2011-08-23 US disclosed
US-8003838-B2 1,4-hydrogenation of dienes with Ru complexes FIRMENICH SA (CH) 2011-08-23 US disclosed
US-20100099904-A1 1,4-HYDROGENATION OF DIENES WITH RU COMPLEXES FIRMENICH SA 2010-04-22 US disclosed
US-20100099904-A1 1,4-HYDROGENATION OF DIENES WITH RU COMPLEXES FIRMENICH SA 2010-04-22 US disclosed
WO-2008120175-A1 1,4-HYDROGENATION OF DIENES WITH RU COMPLEXES FIRMENICH SA (CH) 2008-10-09 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-20100099904-A1 1,4-HYDROGENATION OF DIENES WITH RU COMPLEXES HRH4, H1-4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GAA 4727/4885CYP1A1 409/4885CYP1B1 476/4885

“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.