SCHEMBL2468532

SCHEMBL2468532

CC(C)CC(CNC(=O)c1ccc(Cl)cc1)(C(C)C)C(OC(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.49
SLC6A9 P48067 5/20 0.45
SLC6A5 Q9Y345 4/20 0.45
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2470756 0.91 SLC6A9 (0.46) SLC6A9SLC6A5RAB9ASMN1; SMN2MEN1
SCHEMBL2470768 0.87 GPR139 (0.48) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2465331 0.85 GPR139 (0.50) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2469141 0.85 RAB9A (0.44) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2469881 0.83 RAB9A (0.43) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2467902 0.83 RAB9A (0.43) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14243821 0.82 RAB9A (0.42) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2463730 0.82 RAB9A (0.42) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2464568 0.78 NPC1 (0.47) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL12321809 0.76 MEN1 (0.48) GPR139RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP disclosed
CN-103140510-B Halogenated amide esters and internal electron donors comprising same DOW GLOBAL TECHNOLOGIES LLC 2015-06-24 CN disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
EP-2539378-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME Dow Global Technologies LLC (US) 2013-01-02 EP disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US disclosed
WO-2011106497-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 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-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same NAT10, NAT1, NAA50 GPR139 3497/4885SLC6A9 963/4885SLC6A5 763/4885

“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.