SCHEMBL19796435

SCHEMBL19796435

C=C(C)C(=O)OCCOc1cc(CCC)ccc1-c1ccc(CCC(CO)CO)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
ALOX5 P09917 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
THRB P10828 1/20 0.33
PTGES O14684 1/20 0.33
PPARG P37231 1/20 0.33
ACACB O00763 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
LTB4R Q15722 1/20 0.33
ACACA Q13085 1/20 0.32
POLB P06746 2/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL19804185 0.89 FFAR4 (0.40) CYP11B1CYP11B2FFAR4PPARGALDH1A1
SCHEMBL19796422 0.88 CYP11B1 (0.37) CYP11B1CYP11B2ALOX5FFAR4THRB
SCHEMBL19796341 0.88 CYP11B1 (0.37) CYP11B1CYP11B2ALOX5FFAR4THRB
SCHEMBL19796957 0.88 RARB (0.43) ALOX5THRBPTGESPPARGALDH1A1
SCHEMBL19796325 0.87 CYP11B1 (0.38) CYP11B1CYP11B2FFAR4THRBALDH1A1
SCHEMBL19796420 0.87 THRB (0.38) CYP11B1CYP11B2ALOX5FFAR4THRB
SCHEMBL19796415 0.86 TSHR (0.37) CYP11B1CYP11B2FFAR4THRBPPARG
SCHEMBL19804600 0.83 KDM4E (0.36) ALDH1A1HTTSMN1; SMN2
SCHEMBL19796359 0.82 ALDH1A1 (0.42) CYP11B1CYP11B2THRBACACBALDH1A1
SCHEMBL17070374 0.81 RARB (0.36) THRBALDH1A1TSHRPOLBHTT

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 CYP11B1 4354/4885CYP11B2 4666/4885ALOX5 2671/4885

“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.