SCHEMBL20126337

SCHEMBL20126337

CCCOc1ccc(-c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
APP P05067 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 1/20 0.34
PLA2G7 Q13093 3/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
C3AR1 Q16581 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 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
SCHEMBL20126213 0.94 S1PR1 (0.39) S1PR1S1PR3APPCYP3A4CYP2D6
SCHEMBL20126332 0.84 ALDH1A1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL20126169 0.83 NPC1 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL20126270 0.81 BACE1 (0.33) ALDH1A1MAPTPDK2PLA2G7ACACB
SCHEMBL20126249 0.77 ALDH1A1 (0.43) S1PR1MAOBALDH1A1MAPTACACB
SCHEMBL20126209 0.74 NQO1 (0.41) MAOBALDH1A1MAPTACACB
SCHEMBL18931595 0.74 CYP3A4 (0.37) APPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20126211 0.72 ALDH1A1 (0.43) CYP3A4CYP2D6CYP2C19MAOBALDH1A1
SCHEMBL20128695 0.70 CHKA (0.40) APPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5970189 0.70 TLR8 (0.41) ESR2

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 S1PR1 583/4885S1PR3 951/4885APP 658/4885

“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.