SCHEMBL19796748

SCHEMBL19796748

C=CC(=O)OCCOc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)ccc1OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
PTPN11 Q06124 2/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
THRA P10827 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL19796751 0.92 THRB (0.44) THRBPTPN11PTPN1PTPN6PDE4A
SCHEMBL19796927 0.89 THRB (0.52) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL19796763 0.89 THRB (0.48) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL19796892 0.88 THRB (0.50) THRBPTPN11PTPN1PTPN6PDE4A
SCHEMBL15829733 0.86 MEN1 (0.52) PTPN11PTPN1PTPN6PDE4APDE4B
SCHEMBL19796642 0.85 PDE4A (0.45) THRBPTPN11PTPN1PTPN6PDE4A
SCHEMBL17070539 0.84 THRB (0.44) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL25989582 0.84 THRB (0.50) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL19796731 0.83 THRB (0.43) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL19796738 0.83 THRB (0.43) THRBPTPN11PTPN1PTPN6THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 THRB 4323/4885PTPN11 2304/4885PTPN1 1016/4885

“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.