SCHEMBL20126332

SCHEMBL20126332

CCCOc1ccc(-c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
RUNX1 Q01196 1/20 0.42
ATM Q13315 1/20 0.42
CBFB Q13951 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39

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 0.89 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1KDM4EGLA
SCHEMBL20126209 0.89 NQO1 (0.41) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL20126211 0.86 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1KDM4EGLA
SCHEMBL20126337 0.84 S1PR1 (0.36) ALDH1A1MAPTMAOBCYP2D6CYP3A4
SCHEMBL20126165 0.83 ACACB (0.40) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL5970189 0.82 TLR8 (0.41) RAB9ANPC1
SCHEMBL20126213 0.81 S1PR1 (0.39) CYP2D6CYP3A4CYP1A2CYP19A1CYP2C19
SCHEMBL20126169 0.81 NPC1 (0.37) MAOBCYP2D6CYP3A4CYP1A2CYP19A1
SCHEMBL20126348 0.78 HRH3 (0.36) HRH3
SCHEMBL20126310 0.78 NPC1 (0.42) ALDH1A1MAPK1CYP2D6CYP3A4CYP1A2

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 3166/4885MAPK1 505/4885

“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.