SCHEMBL17754276

SCHEMBL17754276

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
PPARA Q07869 5/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36

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
SCHEMBL17754274 0.88 KMT2A (0.44) KMT2APPARAMEN1MAPTPOLB
SCHEMBL16978138 0.85 KMT2A (0.52) KMT2AMEN1MAPT
SCHEMBL18931471 0.85 KMT2A (0.52) KMT2AMEN1MAPT
SCHEMBL17758731 0.84 CA12 (0.47) KMT2AMEN1MAPTABCG2
SCHEMBL21702644 0.82 KMT2A (0.39) KMT2APPARAMEN1MAPTPOLB
SCHEMBL22099221 0.81 TDP1 (0.41) KMT2AMEN1MAPTPOLBABCG2
SCHEMBL17433324 0.81 KMT2A (0.56) KMT2AMEN1MAPT
SCHEMBL17719444 0.81 NFKB1 (0.40) KMT2AMEN1MAPTPOLB
SCHEMBL22099234 0.80 TDP1 (0.46) KMT2APPARAMEN1MAPTPOLB
SCHEMBL18960025 0.80 KMT2A (0.53) KMT2APPARAMEN1POLBRAB9A

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 2308/4885PPARA 4099/4885MEN1 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.