SCHEMBL19804232

SCHEMBL19804232

C=C(C)C(=O)Oc1cc(OCCO)ccc1-c1ccc(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.36
MAPK14 Q16539 2/20 0.35
DHODH Q02127 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 3/20 0.34
MOGAT2 Q3SYC2 3/20 0.34
P2RX7 Q99572 1/20 0.34
PDK2 Q15119 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL19796362 0.85 S1PR1 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19804179 0.84 TDP1 (0.40) FFAR1FFAR4DHODHPOLBAPEX1
SCHEMBL19804213 0.84 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19803993 0.83 POLB (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19803974 0.82 CTSA (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19804127 0.81 POLB (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17750815 0.80 ELANE (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19804121 0.80 CYP4A11 (0.38) FFAR4
SCHEMBL19674629 0.77 FFAR4 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15338986 0.77 BACE1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 4101/4885PRKAG1 3800/4885PRKAA2 4291/4885

“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.