SCHEMBL19796426

SCHEMBL19796426

C=C(C)C(=O)Oc1cc(CCC)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
ACACB O00763 2/20 0.40
PTPN11 Q06124 2/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19796421 0.87 THRB (0.40) ALDH1A1SMN1; SMN2THRBMAPK1POLB
SCHEMBL19796362 0.86 S1PR1 (0.38) ALDH1A1SMN1; SMN2MAPTACACBPTPN11
SCHEMBL19796330 0.84 CYP4F2 (0.43) ALDH1A1SMN1; SMN2MAPTACACBTHRB
SCHEMBL19796359 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ACACBPTPN11THRB
SCHEMBL19796418 0.83 POLB (0.43) ALDH1A1SMN1; SMN2MAPTACACBPTPN11
SCHEMBL19796416 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTACACBPTPN11
SCHEMBL19804179 0.83 TDP1 (0.40) LMNAL3MBTL1POLBAPEX1HTT
SCHEMBL19796417 0.81 POLB (0.46) ALDH1A1SMN1; SMN2MAPTACACBPTPN11
Phenoxyethanol SCHEMBL16585727 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTTHRBLMNA
SCHEMBL19796341 0.81 CYP11B1 (0.37) ALDH1A1SMN1; SMN2THRBPOLBAPEX1

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 ALDH1A1 2472/4885SMN1; SMN2 3551/4885MAPT 2308/4885

“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.