SCHEMBL20126211

SCHEMBL20126211

CCCOc1ccc(-c2ccc(-c3ccc(C4CC(C)(C)N(OC)C(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RUNX1 Q01196 1/20 0.38
ATM Q13315 1/20 0.38
CBFB Q13951 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ACACB O00763 3/20 0.37
CYP2D6 P10635 2/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL20126333 0.89 NQO1 (0.39) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20126166 0.88 MAPT (0.46) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20126332 0.86 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20126349 0.81 SPHK1 (0.34) DRD2
SCHEMBL20126311 0.80 NPC1 (0.41) ALDH1A1MAPTCYP2D6CYP3A4NPC1
SCHEMBL20126251 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDACACB
SCHEMBL20126249 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20126310 0.76 NPC1 (0.42) ALDH1A1MAPK1CYP2D6CYP3A4NPC1
SCHEMBL20126188 0.76 NPC1 (0.42) ALDH1A1MAPK1CYP2D6CYP3A4NPC1
SCHEMBL20126209 0.75 NQO1 (0.41) ALDH1A1MAPTKDM4EGLAGAA

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 47/4885MAPT 3166/4885KDM4E 3031/4885

“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.