SCHEMBL20128918

SCHEMBL20128918

COC1CCC(c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.36
GAA P10253 3/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 2/20 0.35
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
DRD2 P14416 1/20 0.31
ESR1 P03372 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC18A3 Q16572 1/20 0.31
QDPR P09417 1/20 0.31
TRPA1 O75762 1/20 0.30
PARP1 P09874 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL20128502 0.83 ACACB (0.43) BACE1
SCHEMBL20128590 0.82 HTT (0.42) GAAHTTL3MBTL1
SCHEMBL20128398 0.81 GPR119 (0.35) ESR2GAAHTTMCHR1DRD2
SCHEMBL20126202 0.81 NPC1 (0.32) ESR2BACE1
SCHEMBL20129351 0.81 MAPT (0.40) GAAKDM4EALDH1A1DRD2CYP3A4
SCHEMBL20126297 0.80 DRD2 (0.43) BACE1MCHR1DRD2
SCHEMBL20128906 0.80 GAA (0.33) GAAHTTPARP1
SCHEMBL20126321 0.78 GAA (0.36) ESR2GAABACE1ALDH1A1ALOX15
SCHEMBL20126219 0.76 DRD2 (0.40) BACE1MCHR1DRD2
SCHEMBL20128612 0.76 GAA (0.31) GAAHTT

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 ESR2 2767/4885GAA 4752/4885HTT 2146/4885

“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.