SCHEMBL17877400

SCHEMBL17877400

CC1(C)CC(OC2CCC(C3CCC(CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)OC3)CC2)CC(C)(C)N1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 1/20 0.31
HMGCR P04035 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL17877398 0.91 KMT2A (0.34) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877397 0.77 MEN1 (0.33) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877393 0.77 ALDH1A1 (0.37) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877396 0.77 ALDH1A1 (0.39) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877394 0.77 ALDH1A1 (0.39) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877399 0.73 HMGCR (0.38) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877406 0.73 HMGCR (0.38) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL20000741 0.73 ALDH1A1 (0.41) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17877388 0.72 GAA (0.38) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL28798490 0.71 KMT2A (0.47) MEN1KMT2AGAAKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME PYM1, YBX3, MLX MEN1 2562/4885KMT2A 2137/4885GAA 4819/4885

“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.