SCHEMBL19796952

SCHEMBL19796952

C=C(C)C(=O)OCCCc1cc(C)ccc1-c1ccc(-c2ccc(CCCO)cc2)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
TSHR P16473 2/20 0.34
CYP4A11 Q02928 2/20 0.34
CYP4F2 P78329 1/20 0.34
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 4/20 0.34
RARB P10826 2/20 0.34
CTDSP1 Q9GZU7 1/20 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
PPARG P37231 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
THRB P10828 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
SCHEMBL19804694 0.90 JAK1 (0.35) TSHRCYP4A11POLBAPEX1HTT
SCHEMBL19624484 0.90 CA1 (0.38) CA1CA2TSHRCYP4A11CYP4F2
SCHEMBL19804150 0.89 CA1 (0.39) CA1CA2TSHRCYP4A11CYP4F2
SCHEMBL19804126 0.88 CA1 (0.36) CA1CA2TSHRCYP4A11CYP4F2
SCHEMBL19796346 0.85 TSHR (0.40) TSHRCYP4A11CYP4F2RARBPOLB
SCHEMBL19796599 0.85 TSHR (0.40) TSHRRARBTHRB
SCHEMBL17070449 0.85 TSHR (0.35) TSHRCYP4A11CYP4F2RARBPOLB
SCHEMBL19804015 0.84 TSHR (0.38) CA1CA2TSHRCYP4A11CYP4F2
SCHEMBL19804255 0.84 FFAR4 (0.42) CA1CA2CYP4A11CYP4F2FFAR1
SCHEMBL19804228 0.84 L3MBTL1 (0.35) CA1CA2TSHRRARBPOLB

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 2120/4885TSHR 4195/4885

“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.