SCHEMBL678529

SCHEMBL678529

Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc(CO)c2C)C(C)(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.70
CYP3A4 P08684 1/20 0.57

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
SCHEMBL1535964 0.93 ABCB1 (0.70) ABCB1CYP3A4
SCHEMBL8461192 0.86 ABCB1 (0.81) ABCB1CYP3A4
SCHEMBL32672049 0.86 ABCB1 (0.81) ABCB1CYP3A4
SCHEMBL5064009 0.85 ABCB1 (0.73) ABCB1CYP3A4
SCHEMBL10139344 0.85 ABCB1 (0.73) ABCB1CYP3A4
SCHEMBL10722635 0.84 ABCB1 (0.71) ABCB1
SCHEMBL5053875 0.84 ABCB1 (0.71) ABCB1CYP3A4
SCHEMBL16077544 0.83 ABCB1 (0.72) ABCB1CYP3A4
Methoxyfenozide SCHEMBL27595 0.82 ABCB1 (1.00) ABCB1
SCHEMBL18098796 0.82 ABCB1 (0.69) ABCB1CYP3A4

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-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 US disclosed
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-09-25 US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 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 (5 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-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 ABCB1 1593/4885CYP3A4 965/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 ABCB1 1593/4885CYP3A4 965/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 ABCB1 1593/4885CYP3A4 965/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 ABCB1 708/4885CYP3A4 396/4885
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners ACHE, NCS1, HCN1 ABCB1 2479/4885CYP3A4 1115/4885

“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.