SCHEMBL16355751

SCHEMBL16355751

CC(C)(C)OC(=O)CNCCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP4F2 P78329 2/20 0.40
PTPRC P08575 2/20 0.40
ESRRG P62508 3/20 0.39
ESRRB O95718 1/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
ADRB3 P13945 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ANPEP P15144 1/20 0.36

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
SCHEMBL27412143 0.89 ALDH1A1 (0.41) PTPRCESRRGADRB3NPC1RAB9A
SCHEMBL16355776 0.85 LMNA (0.50) CA12CA1CA2CA9CA14
SCHEMBL7145257 0.85 NPC1 (0.50) CA12CA1CA2CA9HRH3
SCHEMBL7135245 0.84 ALDH1A1 (0.48) CA12CA1CA2LMNANPC1
SCHEMBL15876078 0.84 SLC7A5 (0.52) CYP4A11CYP4F2PTPRCLOXL2
SCHEMBL948952 0.84 NPC1 (0.49) CA12CA1CA9CA14NPC1
Hydrochloric Acid SCHEMBL10493771 0.82 NPC1 (0.48) CA12CA1CA9CA14NPC1
SCHEMBL4541517 0.81 NPC1 (0.47) CA12CA9CA14NPC1RAB9A
SCHEMBL6302909 0.80 KMT2A (0.52) CA12CA1CA2LMNANPC1
SCHEMBL5190209 0.78 LMNA (0.59) CYP4A11CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 CYP4A11 2549/4885CA12 1209/4885CA1 437/4885

“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.