SCHEMBL12633722

SCHEMBL12633722

C/C(=C\COCC(CO)(CO)CO)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.60
PTPN2 P17706 1/20 0.43
CDC25B P30305 1/20 0.43
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
SNCA P37840 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM1A O60341 1/20 0.38
PSEN1 P49768 2/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL13277707 1.00 PTPN1 (0.60) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13277645 1.00 PTPN1 (0.60) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13470702 0.97 PTPN1 (0.57) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13470709 0.97 PTPN1 (0.57) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL30711116 0.86 PTPN1 (0.71) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL7946561 0.86 PTPN1 (0.71) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13277638 0.86 PTPN1 (0.57) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13277424 0.86 PTPN1 (0.57) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL12633041 0.86 PTPN1 (0.57) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL13277845 0.85 PTPN1 (0.60) PTPN1PTPN2CDC25BPTGS1PDE4A

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
US-20140194536-A1 LOW-VISCOSITY LIQUID CRYSTAL COMPOUND CHEMGENESIS INCORPORATED (JP) 2014-07-10 US disclosed
US-20140194536-A1 LOW-VISCOSITY LIQUID CRYSTAL COMPOUND CHEMGENESIS INCORPORATED (JP) 2014-07-10 US disclosed
US-8703922-B2 Low-viscosity liquid crystal compound CHEMGENESIS INCORPORATED (JP) 2014-04-22 US disclosed
US-20120264923-A1 LOW-VISCOSITY LIQUID CRYSTAL COMPOUND CHEMGENESIS INCORPORATED (JP) 2012-10-18 US disclosed
WO-2011078383-A1 LOW-VISCOSITY LIQUID-CRYSTAL COMPOUND 株式会社サイトパスファインダー (JP) 2011-06-30 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 (2 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-20140194536-A1 LOW-VISCOSITY LIQUID CRYSTAL COMPOUND G6PD, GK, UGCG PTPN1 1106/4885PTPN2 1385/4885CDC25B 3754/4885
US-20120264923-A1 LOW-VISCOSITY LIQUID CRYSTAL COMPOUND G6PD, GK, UGCG PTPN1 1106/4885PTPN2 1385/4885CDC25B 3754/4885

“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.