SCHEMBL6771029

SCHEMBL6771029

CC(=O)N(c1c(C)cc(C)cc1C)C1(C(=O)O)CCN(CCC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CACNA1C Q13936 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
S1PR5 Q9H228 2/20 0.37
S1PR1 P21453 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
OPRM1 P35372 5/20 0.35
OPRD1 P41143 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRK1 P41145 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL6764663 0.86 DRD2 (0.38) TP53CACNA1CITGB3ITGA2BS1PR5
SCHEMBL6762559 0.84 ALOX15 (0.36) TP53OPRM1OPRD1OPRK1
SCHEMBL6850224 0.81 USP2 (0.40) ALDH1A1
SCHEMBL6850972 0.71 OPRM1 (0.40) CACNA1COPRM1OPRD1OPRK1
SCHEMBL6767279 0.70 ALDH1A1 (0.37) OPRM1OPRD1KDM4EALDH1A1OPRK1
SCHEMBL6771023 0.69 TP53 (0.43) TP53ITGB3ITGA2BS1PR5S1PR1
SCHEMBL8481385 0.68 NOTUM (0.33) KDM4E
SCHEMBL6767298 0.67 POLB (0.38) KDM4EALDH1A1
SCHEMBL5010587 0.66 HTT (0.56) DRD2DRD4DRD3ALDH1A1
SCHEMBL6771445 0.65 TP53 (0.40) TP53S1PR5S1PR1ALDH1A1

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-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT TP53 3944/4885CACNA1C 254/4885ITGB3 3786/4885

“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.