SCHEMBL18940671

SCHEMBL18940671

C/C(=C\C=C(/C)c1ccc(C)cc1)C(=O)OC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
EZH2 Q15910 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10027504 0.82 GAA (0.49) GAAPOLBEZH2MEN1KMT2A
SCHEMBL11680960 0.78 GAA (0.75) GAAPOLBHSD17B10GLAEZH2
SCHEMBL10027482 0.78 GAA (0.45) GAAALDH1A1
SCHEMBL2810503 0.73 GAA (0.49) GAAPOLBHSD17B10EZH2MEN1
SCHEMBL4917376 0.73 GAA (0.49) GAAPOLBHSD17B10EZH2MEN1
SCHEMBL653430 0.72 GAA (0.84) GAAPOLBHSD17B10GLAEZH2
SCHEMBL27782632 0.72 GAA (0.47) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL134388 0.71 GAA (0.56) GAAPOLBEZH2MEN1KMT2A
SCHEMBL28472860 0.70 GAA (0.51) GAAPOLBEZH2MEN1KMT2A
SCHEMBL19559398 0.69 GAA (0.60) GAAPOLBHSD17B10GLAEZH2

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-9790428-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-20170158961-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-06-08 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-20170158961-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 GAA 4783/4885POLB 1670/4885HSD17B10 636/4885

“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.