SCHEMBL19804775

SCHEMBL19804775

C=CC(=O)OCc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3F)cc2F)ccc1CCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
PTGS1 P23219 4/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 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
SCHEMBL19804482 0.94 THRB (0.36) THRBPTGS1AKR1C3AKR1C2MEN1
SCHEMBL19804607 0.91 AKR1C3 (0.37) THRBPTGS1AKR1C3AKR1C2MEN1
SCHEMBL19804461 0.91 THRB (0.39) THRBPTGS1AKR1C3AKR1C2MEN1
SCHEMBL19804750 0.89 PTGS1 (0.36) THRBPTGS1AKR1C3AKR1C2MEN1
SCHEMBL19804116 0.89 PTGS1 (0.36) THRBPTGS1AKR1C3AKR1C2MEN1
SCHEMBL19804144 0.89 RARA (0.37) THRBPTGS1CYP2C9S1PR1RARA
SCHEMBL19797038 0.87 RARB (0.48) THRBMEN1KMT2AMAPTS1PR1
SCHEMBL19804453 0.85 PTGS1 (0.36) PTGS1AKR1C3AKR1C2MEN1PTGS2
SCHEMBL19624390 0.84 FFAR4 (0.36) AKR1C3AKR1C2CYP2C19AKR1C4AKR1C1
SCHEMBL19804663 0.84 FFAR1 (0.41) PTGS1AKR1C3AKR1C2MEN1PTGS2

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 THRB 4323/4885PTGS1 4342/4885AKR1C3 1789/4885

“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.