SCHEMBL19804113

SCHEMBL19804113

C=C(C)C(=O)OCCCc1cc(C2CCC(C)CC2)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.35
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL19804105 0.93 CA1 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19624377 0.91 FFAR4 (0.34) CA1CA2POLBAPEX1HTT
SCHEMBL19804358 0.89 CA1 (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19796220 0.88 CYP2C9 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19803956 0.86 ESR2 (0.39) CA1CA2TSHRESR2ALDH1A1
SCHEMBL19624591 0.86 CA1 (0.33) CA1CA2POLBAPEX1HTT
SCHEMBL19803961 0.86 CA1 (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19803971 0.85 POLB (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19796518 0.83 TSHR (0.39) CA1CA2POLBAPEX1HTT
SCHEMBL19804066 0.83 ESR2 (0.36) CA1CA2TSHRESR2ALDH1A1

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 2120/4885POLB 3105/4885

“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.