SCHEMBL2581188

SCHEMBL2581188

COC(=O)C1CCN(C(=O)Cc2cc(C)ccc2C)CC1.Cc1ccc(C)c(CC(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MDM2 Q00987 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL2586245 0.95 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL2581184 0.92 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2HTTL3MBTL1MDM2
SCHEMBL3683326 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTL3MBTL1MDM2
SCHEMBL2581296 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTMDM2MEN1
SCHEMBL2581293 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTMDM2MEN1
SCHEMBL22800924 0.76 MEN1 (0.50) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL2578340 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3686275 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL20827555 0.74 EPHX2 (0.46) L3MBTL1NPC1RAB9AMDM2MEN1
SCHEMBL15498614 0.74 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTL3MBTL1NPC1

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-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 ALDH1A1 649/4885SMN1; SMN2 3646/4885HTT 3478/4885

“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.