SCHEMBL19804607

SCHEMBL19804607

C=CC(=O)OCc1cc2cc(-c3ccc(-c4ccccc4)cc3F)ccc2cc1CCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
THRB P10828 2/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
FFAR1 O14842 3/20 0.34
FFAR4 Q5NUL3 3/20 0.34
DHODH Q02127 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
ABL1 P00519 1/20 0.32
THRA P10827 1/20 0.32
MAP4K4 O95819 1/20 0.32
TYK2 P29597 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL19804775 0.91 THRB (0.35) AKR1C3AKR1C2THRBFFAR1FFAR4
SCHEMBL19796759 0.87 THRB (0.46) THRBRARARARBRARGTHRA
SCHEMBL19804482 0.85 THRB (0.36) AKR1C3AKR1C2THRBFFAR1FFAR4
SCHEMBL19804461 0.84 THRB (0.39) AKR1C3AKR1C2THRBFFAR1FFAR4
SCHEMBL19804750 0.83 PTGS1 (0.36) AKR1C3AKR1C2THRBDHODHMEN1
SCHEMBL19804116 0.83 PTGS1 (0.36) AKR1C3AKR1C2THRBDHODHMEN1
SCHEMBL19804144 0.80 RARA (0.37) THRBRARARARBRARGPTGER4
SCHEMBL19804603 0.80 FFAR4 (0.41) FFAR1FFAR4RARBMEN1TSHR
SCHEMBL19804663 0.80 FFAR1 (0.41) AKR1C3AKR1C2FFAR1FFAR4PTGER4
SCHEMBL19804480 0.79 THRB (0.40) AKR1C3AKR1C2THRBFFAR1FFAR4

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 AKR1C3 1789/4885AKR1C2 3097/4885THRB 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.