SCHEMBL2465810

SCHEMBL2465810

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRMT5 O14744 2/20 0.42
BLM P54132 1/20 0.41
PMP22 Q01453 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
SCHEMBL2462149 0.87 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2464965 0.87 ADRB2 (0.43) KMT2ARAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2466789 0.87 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2467825 0.86 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2467722 0.85 HTT (0.46) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2466319 0.83 GPR139 (0.49) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2466807 0.83 RAB9A (0.44) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2465532 0.83 RAB9A (0.44) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2468838 0.82 GPR139 (0.48) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2469696 0.77 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C19RAB9A

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 MEN1 3636/4885KMT2A 1272/4885CYP1A2 698/4885

“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.