SCHEMBL19796750

SCHEMBL19796750

C=CC(=O)OCCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)c(C)c2)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.46
THRB P10828 7/20 0.43
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
PPARD Q03181 2/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
RAD52 P43351 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRA P10827 5/20 0.39
APAF1 O14727 2/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19804439 0.88 THRB (0.42) RARBTHRBPPARDTHRAPTPN11
SCHEMBL19796728 0.87 RARB (0.46) RARBTHRBMAPTMEN1KMT2A
SCHEMBL19796637 0.87 RARB (0.46) RARBTHRBCNR2CNR1PPARD
SCHEMBL19796763 0.87 THRB (0.48) RARBTHRBCNR2CNR1MAPT
SCHEMBL17070539 0.86 THRB (0.44) RARBTHRBCNR2CNR1MEN1
SCHEMBL19796752 0.84 THRB (0.44) RARBTHRBCNR2CNR1PPARD
SCHEMBL19796744 0.84 RARB (0.46) RARBTHRBCNR2CNR1PPARD
SCHEMBL19796742 0.83 THRB (0.44) RARBTHRBCNR2CNR1MEN1
SCHEMBL19796626 0.83 RARB (0.47) RARBTHRBCNR2CNR1PPARD
SCHEMBL19796751 0.83 THRB (0.44) RARBTHRBCNR2CNR1MEN1

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 RARB 3517/4885THRB 4323/4885CNR2 1075/4885

“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.