SCHEMBL19804196

SCHEMBL19804196

C=C(C)C(=O)OCCc1cc(-c2ccc(C)cc2)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
THRB P10828 1/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MCL1 Q07820 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
JAK3 P52333 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ICMT O60725 1/20 0.32

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
SCHEMBL19804107 0.93 CA1 (0.39) CA1CA2THRBPOLBAPEX1
SCHEMBL19804112 0.91 CA1 (0.40) CA1CA2THRBPOLBAPEX1
SCHEMBL19804031 0.90 THRB (0.38) CA1CA2THRBPOLBAPEX1
SCHEMBL19624346 0.89 CA1 (0.41) CA1CA2THRBPOLBAPEX1
SCHEMBL19804062 0.87 HSD17B1 (0.35) CA1CA2HTTTSHRCYP4F2
SCHEMBL19796219 0.86 MCL1 (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL19804106 0.86 THRB (0.36) CA1CA2THRBPOLBAPEX1
SCHEMBL19804199 0.85 CA1 (0.39) CA1CA2THRBPOLBAPEX1
SCHEMBL19803959 0.85 MAPK1 (0.35) CA1CA2THRBPOLBAPEX1
SCHEMBL19804036 0.84 CYP4F2 (0.38) THRBTSHRCYP4F2CYP4A11FFAR4

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 2120/4885THRB 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.