SCHEMBL19796325

SCHEMBL19796325

C=C(C)C(=O)OCCOc1cc(CO)ccc1-c1ccc(CCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.34
LTB4R Q15722 1/20 0.33
CTSA P10619 1/20 0.33
RARB P10826 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL19796420 0.95 THRB (0.38) CYP11B1CYP11B2THRBTSHRFFAR4
SCHEMBL19796422 0.92 CYP11B1 (0.37) CYP11B1CYP11B2THRBTSHRFFAR4
SCHEMBL19796341 0.92 CYP11B1 (0.37) CYP11B1CYP11B2THRBTSHRFFAR4
SCHEMBL19796415 0.90 TSHR (0.37) CYP11B1CYP11B2THRBTSHRFFAR4
SCHEMBL19803992 0.89 FFAR4 (0.44) CYP11B1CYP11B2THRBFFAR4ALDH1A1
SCHEMBL19796359 0.88 ALDH1A1 (0.42) CYP11B1CYP11B2THRBALDH1A1POLB
SCHEMBL19796329 0.88 THRB (0.35) THRBTSHRFFAR4ALDH1A1CYP4F2
SCHEMBL19796390 0.87 CYP11B1 (0.37) CYP11B1CYP11B2THRBFFAR4ALDH1A1
SCHEMBL19796435 0.87 CYP11B1 (0.34) CYP11B1CYP11B2THRBTSHRFFAR4
SCHEMBL19796328 0.87 CYP4F2 (0.41) THRBTSHRALDH1A1CYP4F2CYP4A11

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 CYP11B1 4354/4885CYP11B2 4666/4885THRB 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.