SCHEMBL19804595

SCHEMBL19804595

C=CC(=O)OCCc1cc(-c2ccc(C3CCCCC3)cc2)ccc1CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
TSHR P16473 4/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 6/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSP90AA1 P07900 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31

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
SCHEMBL19804543 0.96 FFAR4 (0.38) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19804485 0.94 FFAR4 (0.37) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19804437 0.90 FFAR4 (0.38) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19804789 0.88 FFAR4 (0.47) FFAR4THRBCYP3A4CYP2C9APP
SCHEMBL19804499 0.88 FFAR4 (0.39) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19801613 0.87 CYP3A4 (0.41) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804778 0.86 FFAR4 (0.34) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19804393 0.86 CA1 (0.37) FFAR4ALDH1A1CYP3A4CYP2C9APP
SCHEMBL19804504 0.85 SLC6A9 (0.39) FFAR4TSHRTHRBCYP3A4CYP2C9
SCHEMBL19804758 0.85 FFAR4 (0.47) FFAR4CYP3A4CYP2C9APPS1PR1

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 FFAR4 1715/4885TSHR 4195/4885THRB 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.