SCHEMBL19796255

SCHEMBL19796255

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCC)cc2)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
THRB P10828 2/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PTPN11 Q06124 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
ADRB3 P13945 3/20 0.35
ADRB1 P08588 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
LTB4R Q15722 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL19796519 0.92 THRA (0.43) THRBTSHRALDH1A1PTPN11PTPN1
SCHEMBL19796249 0.92 MCL1 (0.38) MCL1THRBTSHRALDH1A1PTPN11
SCHEMBL19796459 0.91 LTB4R (0.39) MCL1THRBTSHRPTPN11PTPN1
SCHEMBL19796224 0.87 RARB (0.36) THRBTSHRLTB4RS1PR1
SCHEMBL19796247 0.87 PDE4A (0.40) MCL1THRBTSHRALDH1A1PTPN11
SCHEMBL19804037 0.87 SLC6A9 (0.41) THRBALDH1A1PDE4APDE4BPDE4C
SCHEMBL19804199 0.87 CA1 (0.39) MCL1THRBTSHRALDH1A1PDE4A
SCHEMBL19007869 0.87 RARB (0.37) LTB4RS1PR1
SCHEMBL19796525 0.86 RARB (0.38) THRBTSHRALDH1A1PTPN11PTPN1
SCHEMBL19796219 0.86 MCL1 (0.40) MCL1THRBTSHRALDH1A1POLB

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 2 patents. 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
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 MCL1 1532/4885THRB 4323/4885TSHR 4195/4885

“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.