SCHEMBL19796358

SCHEMBL19796358

C=C(C)C(=O)OCCCc1cc(OCCO)ccc1C1CCC(CCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR2 P34972 7/20 0.35
CNR1 P21554 4/20 0.35
TSHR P16473 2/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 3/20 0.33
CYP2C9 P11712 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PPARA Q07869 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
NQO2 P16083 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
SCHEMBL19796355 0.94 POLB (0.36) POLBAPEX1HTTTDP1CNR2
SCHEMBL19804291 0.89 POLB (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL19796814 0.88 CNR2 (0.35) POLBAPEX1HTTTDP1CNR2
SCHEMBL19796360 0.87 POLB (0.36) POLBAPEX1HTTTDP1CNR2
SCHEMBL19796324 0.86 TSHR (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL19804190 0.82 POLB (0.39) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19796245 0.81 CYP2C9 (0.39) POLBAPEX1HTTTDP1TSHR
SCHEMBL19796334 0.81 CYP2C9 (0.34) CNR2TSHRCYP2C9
SCHEMBL19804641 0.80 POLB (0.37) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19796327 0.80 CYP2C9 (0.35) TSHRCYP2C9

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.