SCHEMBL19804245

SCHEMBL19804245

C=C(C)C(=O)OCCOc1cc(C2CCC(C3CCCCC3)CC2)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PPARG P37231 6/20 0.34
PPARA Q07869 3/20 0.34
PDE4B Q07343 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CSF1R P07333 1/20 0.32
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.31
QDPR P09417 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL19804434 0.93 PDE4A (0.35) HPGDCA1CA2PPARGPPARA
SCHEMBL19804713 0.92 FFAR4 (0.34) HPGDCA1CA2PPARGPPARA
SCHEMBL19804356 0.91 CA1 (0.36) CA1CA2PPARGPPARAPDE4B
SCHEMBL19804072 0.88 CSF1R (0.40) CA1CA2PPARGPPARAPDE4B
SCHEMBL19804399 0.88 CA1 (0.36) CA1CA2PDE4BPDE4APDE4C
SCHEMBL19804386 0.86 CA1 (0.33) HPGDCA1CA2EPHX1
SCHEMBL19796528 0.86 TSHR (0.36) HPGDCA1CA2PPARGPPARA
SCHEMBL19804235 0.86 FFAR4 (0.37) HPGDCA1CA2PPARGPPARA
SCHEMBL19804358 0.86 CA1 (0.35) CA1CA2PPARGPPARAPOLB
SCHEMBL19804674 0.85 FFAR4 (0.33) CA1CA2PPARGPPARACSF1R

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 HPGD 4741/4885CA1 489/4885CA2 2120/4885

“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.