SCHEMBL20126281

SCHEMBL20126281

CCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2 P00734 1/20 0.34
POLB P06746 3/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 3/20 0.33
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20126284 0.85 HPGD (0.34) ALDH1A1SMN1; SMN2KMT2AHTTTDP1
SCHEMBL20126280 0.83 HTT (0.41) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL20126245 0.80 ALDH1A1 (0.34) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12154150 0.79 KMT2A (0.45) CA2ALDH1A1SMN1; SMN2KMT2AHTT
Fluoride SCHEMBL9841305 0.74 KMT2A (0.41) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12742083 0.74 F2 (0.36) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12719841 0.74 CA2 (0.36) CA2SMN1; SMN2KMT2AHTTTDP1
SCHEMBL9841306 0.74 KMT2A (0.40) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL8025327 0.73 KMT2A (0.40) CA2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12742097 0.73 HPGD (0.39) CA2HPGD

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 CA2 2931/4885ALDH1A1 47/4885SMN1; SMN2 4549/4885

“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.