SCHEMBL2466993

SCHEMBL2466993

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.50
SLC6A9 P48067 3/20 0.48
SLC6A5 Q9Y345 3/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CYP27B1 O15528 2/20 0.45
CYP24A1 Q07973 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL2468306 0.88 GPR139 (0.51) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL2465220 0.88 SLC6A9 (0.54) SLC6A9SLC6A5GAACYP24A1RAB9A
SCHEMBL2467017 0.85 GPR139 (0.55) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL14243641 0.84 SLC6A9 (0.51) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL2470778 0.83 GPR139 (0.53) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL2466319 0.82 GPR139 (0.49) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL2463921 0.80 HTT (0.47) GPR139RAB9ASMN1; SMN2NPC1HTT
SCHEMBL2467722 0.79 HTT (0.46) RAB9ASMN1; SMN2NPC1HTTTP53
SCHEMBL2466996 0.79 GPR139 (0.51) GPR139SLC6A9SLC6A5KDM4EGAA
SCHEMBL2462153 0.78 HPGD (0.47) GPR139KDM4ERAB9ASMN1; SMN2NPC1

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
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP 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.