SCHEMBL2581184

SCHEMBL2581184

Cc1ccc(C)c(CC(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDM2 Q00987 1/20 0.42
NOTUM Q6P988 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
SCHEMBL2581188 0.92 ALDH1A1 (0.63) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3683326 0.86 ALDH1A1 (0.46) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL2586245 0.86 ALDH1A1 (0.69) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL22800924 0.83 MEN1 (0.50) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL3686275 0.82 ALDH1A1 (0.41) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL22800944 0.79 POLB (0.48) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL20827555 0.79 EPHX2 (0.46) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL30791191 0.77 MAPT (0.66) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL20827279 0.77 KMT2A (0.40) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL2581293 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A

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-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 L3MBTL1 1564/4885ALDH1A1 649/4885POLB 3820/4885

“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.