SCHEMBL20126249

SCHEMBL20126249

CCCOc1ccc(CCc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACACB O00763 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
GAA P10253 2/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LTA4H P09960 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RUNX1 Q01196 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL20126332 0.89 ALDH1A1 (0.45) ALDH1A1MAPTLMNAACACBHRH3
SCHEMBL20126165 0.86 ACACB (0.40) ALDH1A1MAPTLMNAL3MBTL1ACACB
SCHEMBL20126286 0.84 HRH3 (0.47) HRH3SPHK1LTA4HHTT
SCHEMBL20126348 0.79 HRH3 (0.36) HRH3SPHK2SPHK1
SCHEMBL20126209 0.78 NQO1 (0.41) ALDH1A1MAPTLMNAACACBGAA
SCHEMBL20126337 0.77 S1PR1 (0.36) ALDH1A1MAPTACACBMAOBS1PR1
SCHEMBL20126119 0.77 NPC1 (0.39) ALDH1A1LMNAHRH3TSHR
SCHEMBL20126211 0.76 ALDH1A1 (0.43) ALDH1A1MAPTLMNAACACBGAA
SCHEMBL10300003 0.73 S1PR3 (0.48) ALDH1A1MAPTLMNAL3MBTL1ACACB
SCHEMBL20126147 0.73 CYP3A4 (0.38) ALDH1A1MAPTLMNAL3MBTL1HRH3

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 3166/4885LMNA 1907/4885

“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.