SCHEMBL20126209

SCHEMBL20126209

CCOc1ccc(-c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
GRM2 Q14416 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ACACB O00763 1/20 0.36

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
SCHEMBL20126165 0.93 ACACB (0.40) NQO1KDM4EHPGDGAAALDH1A1
SCHEMBL20126332 0.89 ALDH1A1 (0.45) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL20126308 0.87 NQO1 (0.40) NQO1KDM4EHPGDGAAALDH1A1
SCHEMBL20126333 0.86 NQO1 (0.39) NQO1KDM4EHPGDGAAALDH1A1
SCHEMBL5970189 0.84 TLR8 (0.41) RAB9A
SCHEMBL20129351 0.78 MAPT (0.40) NQO1KDM4EGAAALDH1A1HSD17B10
SCHEMBL20126186 0.78 NQO1 (0.40) NQO1KDM4EGAAALDH1A1MAPT
SCHEMBL20126249 0.78 ALDH1A1 (0.43) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL20126200 0.78 MCHR1 (0.37) RAB9A
SCHEMBL20126348 0.78 HRH3 (0.36)

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 NQO1 2188/4885KDM4E 3031/4885HPGD 276/4885

“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.