SCHEMBL14793734

SCHEMBL14793734

CCCCOc1ccc(N(C)C(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.47
▸ THRA P10827 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PDK2 Q15119 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL16355726 0.82 ALDH1A1 (0.47) ALDH1A1ALOX5ATM
SCHEMBL30839692 0.76 FSCN1 (0.43) THRBALDH1A1
SCHEMBL14793738 0.75 THRB (0.50) THRBTHRAKDM4EALDH1A1ATM
SCHEMBL15888157 0.73 MEN1 (0.47) THRBTHRAKDM4EALDH1A1L3MBTL1
SCHEMBL20748345 0.72 FDPS (0.40) THRBTHRAALDH1A1TDP1L3MBTL1
SCHEMBL30839701 0.72 ALDH1A1 (0.45) ALDH1A1PDK2TDP1
SCHEMBL8876412 0.71 THRB (0.60) THRBTHRAKDM4EALDH1A1TDP1
SCHEMBL23093089 0.71 SKP2 (0.42) KDM4EALDH1A1PPARGPPARATDP1
SCHEMBL22311333 0.70 THRB (0.63) THRBTHRAKDM4EALDH1A1ATM
SCHEMBL7341507 0.70 ALDH1A1 (0.40) KDM4EALDH1A1PDK2ATM

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-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 — — EP disclosed
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
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 — — EP disclosed
WO-2013039187-A1 GUANIDINOBENZOIC ACID COMPOUND アステラス製薬株式会社 (JP) 2013-03-21 — — 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 THRB 682/4885THRA 1109/4885KDM4E 3316/4885

“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.

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