SCHEMBL19796920

SCHEMBL19796920

C=C(C)C(=O)OCCOc1cc(-c2ccc(OCCO)cc2)ccc1C1CCC(CCCCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RARB P10826 5/20 0.37
RARA P10276 1/20 0.37
RAB9A P51151 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 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
SCHEMBL19797134 0.92 POLB (0.36) POLBAPEX1HTTTDP1RARB
SCHEMBL19796915 0.90 TSHR (0.35) RARBRARAITGB3ITGA2BTSHR
SCHEMBL19797086 0.90 RAB9A (0.40) POLBAPEX1HTTTDP1RARB
SCHEMBL19797091 0.89 RAB9A (0.39) POLBAPEX1HTTTDP1RARB
SCHEMBL19796360 0.87 POLB (0.36) POLBAPEX1HTTTDP1RAB9A
SCHEMBL19624417 0.86 POLB (0.39) POLBAPEX1HTTTDP1RAB9A
SCHEMBL19796651 0.86 FPR2 (0.36) RAB9ATSHRALDH1A1LMNA
SCHEMBL19804670 0.85 SLC6A9 (0.41) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796819 0.84 RAB9A (0.39) POLBAPEX1HTTTDP1RAB9A
SCHEMBL19796888 0.84 ACE2 (0.37) RARBRARATSHRMEN1ALDH1A1

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.