SCHEMBL19796550

SCHEMBL19796550

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
S1PR1 P21453 1/20 0.30
SGPL1 O95470 1/20 0.30
ESR2 Q92731 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
SCHEMBL19796601 0.96 TSHR (0.38) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796555 0.95 TSHR (0.36) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796518 0.94 TSHR (0.39) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796591 0.93 TSHR (0.36) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796704 0.92 TSHR (0.37) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796539 0.91 CYP2C9 (0.34) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796583 0.90 TSHR (0.37) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796994 0.90 TSHR (0.32) TSHRCYP2C9
SCHEMBL19797001 0.90 TSHR (0.35) TSHRCYP2C9CNR2CNR1CA1
SCHEMBL19796508 0.89 TSHR (0.37) TSHRCYP2C9CNR2CNR1CA1

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 4195/4885CYP2C9 4202/4885CNR2 1075/4885

“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.