SCHEMBL19796641

SCHEMBL19796641

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
PPARG P37231 10/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL20171742 1.00 TSHR (0.36) TSHRPPARGPPARAPPARDCNR1
SCHEMBL20171711 0.97 TSHR (0.36) TSHRPPARGPPARAPPARDCNR1
SCHEMBL20171766 0.97 TSHR (0.36) TSHRPPARGPPARAPPARDCNR1
SCHEMBL19796633 0.96 TSHR (0.34) TSHRPPARGPPARAPPARDCNR1
SCHEMBL20171737 0.96 TSHR (0.34) TSHRPPARGPPARAPPARDCNR1
SCHEMBL19797021 0.94 TSHR (0.32) TSHRPPARGPPARAPPARDCNR1
SCHEMBL20171761 0.92 TSHR (0.34) TSHRPPARGPPARAPPARDCYP2C9
SCHEMBL20171709 0.92 TSHR (0.34) TSHRPPARGPPARAPPARDCYP2C9
SCHEMBL19796245 0.92 CYP2C9 (0.39) TSHRPPARGPPARAPPARDCYP2C9
SCHEMBL20171722 0.92 RARA (0.32) TSHRPPARGPPARAPPARDCNR1

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 TSHR 4195/4885PPARG 3314/4885PPARA 3672/4885

“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.