SCHEMBL861380

SCHEMBL861380

CCCC(C)(C)NC(=O)c1c(C)cccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.41
P2RX1 P51575 1/20 0.39
ESR1 P03372 1/20 0.39
MTTP P55157 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12996758 0.87 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL13612704 0.85 RXFP1 (0.38) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL7098229 0.83 EPHX2 (0.38) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL27778911 0.83 EPHX2 (0.35) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL7095561 0.82 KMT2A (0.44) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL13933017 0.81 EPHX2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL5181483 0.81 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
Flubendiamide SCHEMBL27362 0.80 EPHX2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
Flubendiamide SCHEMBL4054589 0.80 EPHX2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
Flubendiamide SCHEMBL29369179 0.80 EPHX2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143193-B2 Active agents combination exhibiting insecticidal and acaricide properties BAYER CROPSCIENCE AG (DE) 2012-03-27 US disclosed
US-20070265266-A1 Active Agents Combination Exhibiting Insecticidal and Acaricide Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-15 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-20070265266-A1 Active Agents Combination Exhibiting Insecticidal and Acaricide Properties ACAA2, AADAC, CYP51A1 ALDH1A1 707/4885MAPT 3296/4885SMN1; SMN2 2118/4885

“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.