SCHEMBL12001190

SCHEMBL12001190

CCCOc1ccc(-c2ccc(C(C)(C)NC(C)=O)cc2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.68
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ MGAM O43451 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ SI P14410 4/20 0.43
▸ MGAM2 Q2M2H8 4/20 0.43
▸ ERN1 O75460 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL12001074 0.83 ACACB (0.80) ACACBGAAMAPTSMN1; SMN2
SCHEMBL29675650 0.82 ACACB (0.86) ACACBGAAMAPTSMN1; SMN2
SCHEMBL256437 0.81 ACACB (1.00) ACACB
SCHEMBL12001196 0.78 ACACB (0.68) ACACB
SCHEMBL12001189 0.76 ACACB (0.69) ACACB
SCHEMBL256438 0.76 ACACB (1.00) ACACB
SCHEMBL18311338 0.73 GAA (0.48) CYP1A1CYP1B1MGAMGAASI
SCHEMBL18311339 0.72 GAA (0.56) CYP1A1CYP1B1MGAMGAASI
SCHEMBL12001285 0.69 ACACB (0.73) ACACB
SCHEMBL9525740 0.69 THRA (0.54) ACACBCYP1A1CYP1B1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885CYP1A1 1514/4885CYP1B1 983/4885

“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.

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