SCHEMBL17754348

SCHEMBL17754348

C=CC(=O)COc1ccc(OC(=O)c2ccc(-c3ccc(OCC(=O)C=C)cc3F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
RORC P51449 1/20 0.33
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33

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
SCHEMBL12154282 0.87 TP53 (0.31) SRD5A2KMT2AMAPTTHRBSMN1; SMN2
SCHEMBL17754303 0.85 KMT2A (0.43) SRD5A2KMT2AMAPTTHRBSMN1; SMN2
SCHEMBL17754299 0.83 KMT2A (0.46) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL17754318 0.79 KMT2A (0.49) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL17754329 0.79 KMT2A (0.49) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL17754319 0.79 KMT2A (0.41) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL21507737 0.79 THRB (0.39) KMT2AMEN1MAPTTHRBFFAR4
SCHEMBL17754290 0.77 MAPT (0.52) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL17754291 0.77 MAPT (0.52) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL17754333 0.77 MAPT (0.52) KMT2AALDH1A1MAPTSMN1; SMN2CYP2C19

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 SRD5A2 1601/4885KMT2A 2308/4885ALDH1A1 3640/4885

“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.