SCHEMBL4218217

SCHEMBL4218217

CCOC(=O)C(C)Nc1cccc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ NLRP3 Q96P20 1/20 0.54
▸ HTT P42858 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42

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
Glycine SCHEMBL11339816 0.92 GAA (0.48) GAACYP3A4CYP2D6NLRP3HTT
SCHEMBL11139256 0.87 GAA (0.53) GAANLRP3ALDH1A1MAPTLMNA
SCHEMBL27498905 0.87 GAA (0.47) GAACYP3A4CYP2D6NLRP3HTT
SCHEMBL10936867 0.84 GAA (0.44) GAACYP3A4CYP2D6NLRP3HTT
Glycine SCHEMBL11344945 0.84 GAA (0.43) GAACYP3A4CYP2D6NLRP3HTT
SCHEMBL11017075 0.82 NLRP3 (0.52) GAACYP3A4NLRP3ALDH1A1MEN1
SCHEMBL11141542 0.82 NLRP3 (0.52) GAACYP3A4NLRP3ALDH1A1MEN1
Glycine SCHEMBL11344521 0.81 ALDH1A1 (0.43) GAACYP3A4CYP2D6NLRP3HTT
SCHEMBL3719428 0.80 TDP1 (0.50) GAACYP3A4HTTALDH1A1MEN1
SCHEMBL411627 0.80 TDP1 (0.50) GAACYP3A4HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 — — US disclosed
EP-1879455-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES Bayer CropScience AG (DE) 2008-01-23 — — EP disclosed
WO-2006119411-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-11-09 — — 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-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives DDT, AADAC, DDC GAA 4103/4885CYP3A4 429/4885CYP2D6 739/4885

“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.

Send feedback