SCHEMBL19796464

SCHEMBL19796464

C=C(C)C(=O)OCc1cc(-c2ccc(OCCO)cc2)ccc1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
RARB P10826 5/20 0.36
RARA P10276 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
S1PR1 P21453 1/20 0.36
NR1I2 O75469 1/20 0.35
DHODH Q02127 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL19796460 0.86 CYP4F2 (0.38) ALDH1A1ACACBACACARARBRARA
SCHEMBL19796466 0.85 POLB (0.44) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19624662 0.85 RARB (0.42) ALDH1A1RARBRARACNR2
SCHEMBL19804382 0.85 POLB (0.44) POLBAPEX1HTTTDP1NR1I2
SCHEMBL19796456 0.85 MTNR1A (0.38) ACACBACACAMTNR1AMTNR1B
SCHEMBL19796463 0.84 THRA (0.37) ALDH1A1ACACBACACARARBRARA
SCHEMBL19796480 0.84 POLB (0.41) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796225 0.84 MCL1 (0.40) ALDH1A1ACACBACACARARBRARA
SCHEMBL19796919 0.82 MEN1 (0.47) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796875 0.82 MEN1 (0.47) POLBAPEX1HTTTDP1ALDH1A1

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 2 patents. 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
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 POLB 3105/4885APEX1 1385/4885HTT 4544/4885

“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.