SCHEMBL19803971

SCHEMBL19803971

C=C(C)C(=O)OCCCc1cc(C2CCC(C)CC2)ccc1OCCO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CSF1R P07333 1/20 0.35
PPARG P37231 8/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 3/20 0.34
RAB9A P51151 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MTNR1B P49286 2/20 0.32
MTNR1A P48039 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
SCHEMBL19804075 0.94 CSF1R (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL19804400 0.89 PPARG (0.38) POLBAPEX1HTTTDP1CA1
SCHEMBL19796245 0.89 CYP2C9 (0.39) POLBAPEX1HTTTDP1CA1
SCHEMBL19804134 0.88 CSF1R (0.40) POLBAPEX1HTTTDP1CA1
SCHEMBL19624606 0.86 CA1 (0.30) CA1CA2
SCHEMBL22030366 0.86 CSF1R (0.34) POLBAPEX1HTTTDP1CA1
SCHEMBL19804113 0.85 CA1 (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL19796641 0.85 TSHR (0.36) CA1CA2PPARGPPARDPPARA
SCHEMBL20171742 0.85 TSHR (0.36) CA1CA2PPARGPPARDPPARA
SCHEMBL19804495 0.84 SLC6A9 (0.38) POLBAPEX1HTTTDP1CA1

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 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.