SCHEMBL20128906

SCHEMBL20128906

COC1CCC(c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.31
HCRTR2 O43614 1/20 0.31
PARP1 P09874 1/20 0.30
CHRNA7 P36544 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL20128612 0.96 GAA (0.31) GAAHTTCHRNA7SCN5ASCN9A
SCHEMBL20128461 0.85
SCHEMBL20128665 0.84 DAO (0.33)
SCHEMBL20128693 0.84 HPGD (0.34) GAAHTT
SCHEMBL20128918 0.80 ESR2 (0.36) GAAHTTPARP1
SCHEMBL4549749 0.74 ALOX5AP (0.34) NOTUMHCRTR2PARP1JAK2JAK1
SCHEMBL12716305 0.74 ALOX5AP (0.37) HCRTR2PARP1
SCHEMBL15682039 0.74 ALOX5AP (0.37) HCRTR2PARP1
SCHEMBL12716303 0.72 ALOX5AP (0.33) HCRTR2PARP1JAK2JAK1TYK2
SCHEMBL15684659 0.71 HCRTR2 (0.48) NOTUMHCRTR2PARP1

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 GAA 4752/4885HTT 2146/4885NOTUM 2320/4885

“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.