SCHEMBL20126164

SCHEMBL20126164

COc1ccc(C2CC=C(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.32
MAOA P21397 2/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL16749129 0.91 ESR2 (0.33) KDM1A
SCHEMBL22269082 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL20126330 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL20126208 0.81 DRD2 (0.45) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12769090 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12769092 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL20126156 0.73
SCHEMBL16749047 0.72 KDM1A (0.39) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL22561099 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL16749046 0.71 KDM1A (0.42) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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 47/4885MEN1 4808/4885KMT2A 2766/4885

“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.