SCHEMBL20126355

SCHEMBL20126355

C=CCCc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL16749144 0.87 ALDH1A1 (0.38) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL16749146 0.84 ALDH1A1 (0.36) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126102 0.82 NISCH (0.39) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL16749147 0.82 ALDH1A1 (0.41) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126313 0.80
SCHEMBL16749047 0.80 KDM1A (0.39) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126148 0.74
SCHEMBL16749046 0.74 KDM1A (0.42) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126314 0.73
SCHEMBL20126234 0.73

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
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 ALDH1A1 47/4885NPSR1 1209/4885GAA 4752/4885

“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.