SCHEMBL6645451

SCHEMBL6645451

CN(C)c1cc(F)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ALDH1A1 P00352 5/20 0.44
NOTUM Q6P988 2/20 0.40
IKBKB O14920 1/20 0.40
CLCN2 P51788 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
HMGB1 P09429 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
SCHEMBL11170036 0.85 ALDH1A1 (0.56) KEAP1CES2CES1ALDH1A1NOTUM
SCHEMBL7682908 0.81 KEAP1 (0.42) KEAP1CES2CES1KDM4EHPGD
SCHEMBL28665906 0.81 KEAP1 (0.42) KEAP1CES2CES1ALDH1A1KMT2A
SCHEMBL6646528 0.80 SLC6A4 (0.45) CES2CES1ALDH1A1KDM4EHPGD
SCHEMBL2420457 0.78 CSNK2A1 (0.52) ALDH1A1NOTUMKMT2AMEN1CA1
SCHEMBL642243 0.78 HCAR3 (0.53) ALDH1A1KDM4EKMT2AMEN1CA1
SCHEMBL6643737 0.77 SMN1; SMN2 (0.57) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL11235298 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL3196612 0.77 KDM4E (0.48) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL6646090 0.77 ALDH1A1 (0.57) CES2ALDH1A1NOTUMKDM4EHPGD

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
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR KEAP1 1203/4885CES2 623/4885CES1 80/4885

“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.