SCHEMBL2465564

SCHEMBL2465564

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
KCNH2 Q12809 1/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MLYCD O95822 1/20 0.42
TP53 P04637 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
USP2 O75604 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
SCHEMBL2462153 0.94 HPGD (0.47) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2469849 0.90 RAB9A (0.48) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2466872 0.88 RAB9A (0.47) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL14243819 0.87 RAB9A (0.46) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2465596 0.87 ALDH1A1 (0.48) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2466807 0.85 RAB9A (0.44) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2465532 0.85 RAB9A (0.44) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2468306 0.84 GPR139 (0.51) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2470759 0.83 GPR139 (0.50) RAB9AALDH1A1NPC1LMNAALOX12
SCHEMBL2467417 0.81 HPGD (0.47) RAB9AALDH1A1NPC1LMNAALOX12

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 RAB9A 2431/4885ALDH1A1 701/4885NPC1 299/4885

“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.