SCHEMBL20126286

SCHEMBL20126286

CCCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
BCHE P06276 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20126249 0.84 ALDH1A1 (0.43) HRH3SPHK1LTA4HHTT
SCHEMBL20126277 0.82 HRH3 (0.47) HRH3BCHESPHK1KMT2A
SCHEMBL20126165 0.80 ACACB (0.40) HRH3KMT2A
SCHEMBL20126253 0.80 HRH3 (0.42) HRH3SPHK1TP53KMT2A
SCHEMBL20126259 0.78 HRH3 (0.40) HRH3TP53KMT2A
SCHEMBL20126348 0.76 HRH3 (0.36) HRH3SPHK1
SCHEMBL21236031 0.76 SPHK1 (0.46) SPHK1
SCHEMBL20126332 0.76 ALDH1A1 (0.45) HRH3
SCHEMBL11168456 0.75 SPHK1 (0.49) HRH3SPHK1
SCHEMBL11168434 0.75 SPHK1 (0.49) HRH3SPHK1

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 HRH3 85/4885BCHE 4169/4885SPHK1 1054/4885

“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.