SCHEMBL4477043

SCHEMBL4477043

CCN(C(=O)OC(C)(C)C)c1cccc(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.41
HDAC8 Q9BY41 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
UNG P13051 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
F2 P00734 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL2636113 0.86 KDM4E (0.39) NR1H4HDAC8ALDH1A1GLATSHR
SCHEMBL23032696 0.85 ALDH1A1 (0.40) NR1H4HDAC8ALDH1A1GLATSHR
SCHEMBL4838461 0.84 ALDH1A1 (0.47) NR1H4HDAC8ALDH1A1GLATSHR
SCHEMBL3119357 0.83 UNG (0.40) NR1H4ALDH1A1UNGNPC1MAPT
SCHEMBL4461274 0.82 ALDH1A1 (0.50) HDAC8ALDH1A1GLATSHRF2
SCHEMBL2655439 0.82 BRD4 (0.49) NR1H4ALDH1A1UNGNPC1MAPT
SCHEMBL12707645 0.81 HDAC8 (0.56) HDAC8ALDH1A1GLATSHRMAPT
SCHEMBL18401327 0.81 ALDH1A1 (0.39) HDAC8ALDH1A1GLATSHRKDM4E
SCHEMBL1600710 0.81 HDAC8 (0.41) HDAC8ALDH1A1GLATSHRRAB9A
SCHEMBL4497170 0.80 MTNR1B (0.39) NR1H4HDAC8ALDH1A1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 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-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF NR1H4 1743/4885HDAC8 2098/4885ALDH1A1 1780/4885

“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.