SCHEMBL19804155

SCHEMBL19804155

C=C(C)C(=O)OCCc1cc(CCCN)ccc1-c1ccc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
FFAR1 O14842 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.32
BACE1 P56817 2/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL19796369 0.91 TSHR (0.36) POLBAPEX1HTTTDP1THRB
SCHEMBL19804136 0.90 CA1 (0.37) CA1CA2FFAR1POLBAPEX1
SCHEMBL19804095 0.87 CA1 (0.36) CA1CA2FFAR1POLBAPEX1
SCHEMBL19804142 0.82 CA1 (0.33) CA1CA2FFAR1POLBAPEX1
SCHEMBL19804216 0.82 CA1 (0.36) CA1CA2FFAR1POLBAPEX1
SCHEMBL19796351 0.81 CYP4A11 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19804110 0.80 GRM2 (0.35) CA1CA2FFAR1POLBAPEX1
SCHEMBL19796322 0.78 VDR (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19796365 0.78 CYP4F2 (0.37) CA1CA2FFAR1POLBAPEX1
SCHEMBL19804147 0.77 TDP1 (0.40) CA1CA2FFAR1POLBAPEX1

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 CA1 489/4885CA2 2120/4885FFAR1 1057/4885

“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.