SCHEMBL5440917

SCHEMBL5440917

CCCCC(=O)c1ccccc1C(=O)O.[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
RECQL P46063 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 3/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
LTB4R2 Q9NPC1 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
HSD17B3 P37058 1/20 0.47
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HTR7 P34969 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4932617 1.00 KDM4E (0.58) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL29619308 1.00 KDM4E (0.58) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL5436539 0.98 KDM4E (0.57) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL5436833 0.98 KDM4E (0.57) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL5438876 0.98 KDM4E (0.57) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL5444333 0.98 KDM4E (0.57) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL5444639 0.98 KDM4E (0.57) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL9625496 0.94 MEN1 (0.53) KDM4EMEN1RECQLKMT2AALDH1A1
Ethylenediamine SCHEMBL28949110 0.93 KDM4E (0.53) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL7043851 0.93 ALDH1A1 (0.54) KDM4EMEN1RECQLKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536625-A Preparation method of high-purity butylphthalide 吉林天衡药业有限公司 2022-12-30 CN disclosed
CN-115536519-A Preparation method of high-purity 2- (alpha-n-pentanone) benzoic acid and metal salt thereof 吉林天衡药业有限公司 2022-12-30 CN disclosed
US-20070203233-A1 NOVEL 2-(alpha-N-PENTANONYL)BENZOATES, THEIR PREPARATION AND USE TEAM ACADEMY OF PHARMACEUTICAL SCIENCE (CN) 2007-08-30 US disclosed
EP-1734031-A1 NOVEL 2-(ALPHA-N-PENTANONYL)BENZOETES, THEIR PREPARATION AND USE TEAM ACADEMY OF PHARMACEUTICAL SCIENCE (CN) 2006-12-20 EP 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-20070203233-A1 NOVEL 2-(alpha-N-PENTANONYL)BENZOATES, THEIR PREPARATION AND USE TBXA2R, TBXAS1, PFKP KDM4E 3521/4885MEN1 2742/4885RECQL 3343/4885

“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.