SCHEMBL17754274

SCHEMBL17754274

C=C(C)C(=O)Oc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OCCO)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
ELANE P08246 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 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
SCHEMBL16978138 0.90 KMT2A (0.52) KMT2AMEN1MAPTELANEHDAC3
SCHEMBL18931471 0.90 KMT2A (0.52) KMT2AMEN1MAPTELANEHDAC3
SCHEMBL17754276 0.88 KMT2A (0.40) KMT2AMEN1MAPTABCG2POLB
SCHEMBL22099234 0.87 TDP1 (0.46) KMT2AMEN1MAPTABCG2TDP1
SCHEMBL21702644 0.87 KMT2A (0.39) KMT2AMEN1MAPTABCG2TDP1
SCHEMBL17758731 0.87 CA12 (0.47) KMT2AMEN1MAPTABCG2
SCHEMBL22099221 0.86 TDP1 (0.41) KMT2AMEN1MAPTABCG2HDAC3
SCHEMBL17433324 0.85 KMT2A (0.56) KMT2AMEN1MAPTELANELMNA
SCHEMBL22099235 0.85 TDP1 (0.46) KMT2AMEN1MAPTABCG2TDP1
SCHEMBL14679690 0.85 KMT2A (0.58) KMT2AMEN1MAPTELANEHDAC3

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

“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.