SCHEMBL2544009

SCHEMBL2544009

CCCCCOc1ccc(CCCCC)cc1C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.50
PLA2G1B P04054 10/20 0.50
KDM4E B2RXH2 2/20 0.49
AKR1C3 P42330 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL2544005 1.00 ATG4B (0.50) ATG4BPLA2G1BKDM4EAKR1C3NPC1
SCHEMBL9791243 0.81 ATG4B (0.55) ATG4BPLA2G1BKDM4ENPC1ALDH1A1
SCHEMBL2541124 0.80 HTT (0.49) KDM4ENPC1ALDH1A1SMN1; SMN2THRB
SCHEMBL5178116 0.79 PTGER1 (0.61) KDM4EAKR1C3NPC1ALDH1A1RAB9A
SCHEMBL12293416 0.78 KDM4E (0.50) KDM4EAKR1C3ALDH1A1LTB4R
SCHEMBL12469444 0.78 HPGD (0.51) KDM4EAKR1C3NPC1ALDH1A1HPGD
SCHEMBL9791242 0.78 ATG4B (0.51) ATG4BPLA2G1BKDM4ENPC1ALDH1A1
SCHEMBL9791241 0.78 ATG4B (0.51) ATG4BPLA2G1BKDM4ENPC1ALDH1A1
SCHEMBL7947727 0.78 LTB4R (0.58) ATG4BPLA2G1BKDM4ENPC1ALDH1A1
SCHEMBL4331860 0.78 PTGER1 (0.59) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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
US-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 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-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 ATG4B 3680/4885PLA2G1B 1458/4885KDM4E 4508/4885

“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.