SCHEMBL20128519

SCHEMBL20128519

CCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACACB O00763 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL20126118 0.90 MAPT (0.35) MAPTGAAALDH1A1KDM4EMAPK1
SCHEMBL20129351 0.88 MAPT (0.40) MAPTGAAALDH1A1KDM4EMAPK1
SCHEMBL20126120 0.77 RAB9A (0.37) MAPTALDH1A1KCNH2HRH3CYP3A4
SCHEMBL20126186 0.75 NQO1 (0.40) MAPTGAAALDH1A1KDM4EMAPK1
SCHEMBL7053848 0.73 NQO1 (0.56) TSHRNQO1
SCHEMBL20128399 0.73 CPS1 (0.34) KCNH2HRH3
SCHEMBL20128502 0.71 ACACB (0.43) ACACB
SCHEMBL20128526 0.71 ACACB (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL20128532 0.71 GAA (0.31) GAA
SCHEMBL20126209 0.71 NQO1 (0.41) MAPTGAAALDH1A1KDM4EMEN1

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 1 patent. 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

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 MAPT 3166/4885GAA 4752/4885ALDH1A1 47/4885

“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.