SCHEMBL17754302

SCHEMBL17754302

C=C(C)C(=O)COc1ccc(OC(=O)/C=C/c2ccc(-c3ccc(OCC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAOB P27338 1/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL17754354 0.89 KMT2A (0.39) KMT2AMAPTMEN1HDAC3HDAC4
SCHEMBL20346182 0.85 KMT2A (0.39) KMT2AMAPTMEN1MAOBSMN1; SMN2
SCHEMBL13963255 0.84 KMT2A (0.34) KMT2AMAPTMEN1SMN1; SMN2KDM4E
SCHEMBL13963249 0.83 KMT2A (0.34) KMT2AMAPTMEN1SMN1; SMN2KDM4E
SCHEMBL17754306 0.83 MAPT (0.49) KMT2AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL13963247 0.82 KMT2A (0.33) KMT2AMAPTMEN1SMN1; SMN2KDM4E
SCHEMBL18931471 0.82 KMT2A (0.52) KMT2AMAPTMEN1HDAC3HDAC4
SCHEMBL16978138 0.82 KMT2A (0.52) KMT2AMAPTMEN1HDAC3HDAC4
SCHEMBL17754274 0.81 KMT2A (0.44) KMT2AMAPTMEN1HDAC3HDAC4
SCHEMBL17754337 0.81 TUBB4A (0.35) KMT2AMAPTMEN1MAOBSMN1; SMN2

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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 KMT2A 2308/4885MAPT 66/4885MEN1 1517/4885

“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.