SCHEMBL677270

SCHEMBL677270

CO/C=C(\C(=O)OC)c1ccccc1COc1cc(C)nc(OC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
OPRL1 P41146 7/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
Fluacrypyrim SCHEMBL83958 0.87 HIF1A (0.37) EDNRBEDNRAOPRL1CYP1A2HIF1A
Fluacrypyrim SCHEMBL29413955 0.87 HIF1A (0.37) EDNRBEDNRAOPRL1CYP1A2HIF1A
Fluacrypyrim SCHEMBL682688 0.87 HIF1A (0.37) EDNRBEDNRAOPRL1CYP1A2HIF1A
Fluacrypyrim SCHEMBL5997532 0.87 HIF1A (0.37) EDNRBEDNRAOPRL1CYP1A2HIF1A
SCHEMBL10020202 0.82 OPRL1 (0.38) OPRL1HIF1A
SCHEMBL8723182 0.80 HIF1A (0.44) OPRL1HIF1A
SCHEMBL8723178 0.80 HIF1A (0.44) OPRL1HIF1A
SCHEMBL12671601 0.79 GABRA5 (0.39) KMT2AMEN1HIF1A
SCHEMBL9256030 0.79 GABRA5 (0.39) KMT2AMEN1HIF1A
SCHEMBL3110515 0.79 PTGS1 (0.36) EDNRBEDNRAOPRL1CYP1A2HIF1A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 EDNRB 4705/4885EDNRA 4742/4885OPRL1 3701/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 EDNRB 4705/4885EDNRA 4742/4885OPRL1 3701/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 EDNRB 4705/4885EDNRA 4742/4885OPRL1 3701/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 EDNRB 4373/4885EDNRA 4490/4885OPRL1 3260/4885

“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.