SCHEMBL19796249

SCHEMBL19796249

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCC)cc2)ccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
LTB4R Q15722 2/20 0.38
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
ADRB3 P13945 3/20 0.35
ADRB1 P08588 2/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
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
SCHEMBL19796551 0.93 THRA (0.42) THRBTSHRALDH1A1PTPN1PTPN6
SCHEMBL19796255 0.92 MCL1 (0.39) MCL1LTB4RTHRBTSHRALDH1A1
SCHEMBL19796459 0.90 LTB4R (0.39) MCL1LTB4RTHRBTSHRPTPN1
SCHEMBL19796247 0.89 PDE4A (0.40) MCL1THRBTSHRALDH1A1PTPN1
SCHEMBL19796260 0.88 PDE4A (0.37) LTB4RTHRBTSHRPTPN1PTPN6
SCHEMBL19796226 0.88 LTB4R (0.39) LTB4RTHRBTSHRCNR1CNR2
SCHEMBL19803962 0.87 CA1 (0.39) THRBTSHRALDH1A1PDE4APDE4B
SCHEMBL19804285 0.87 SLC6A9 (0.40) LTB4RTHRBALDH1A1PDE4APDE4B
SCHEMBL19796603 0.87 CNR2 (0.42) THRBTSHRALDH1A1PTPN1PTPN6
SCHEMBL19796466 0.87 POLB (0.44) THRBTSHRALDH1A1ADRB3ADRB1

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 1532/4885LTB4R 2415/4885THRB 4323/4885

“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.