SCHEMBL17754289

SCHEMBL17754289

C=CC(=O)COc1ccc(OC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.45
F2 P00734 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
RAB9A P51151 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL17754288 0.96 MMP2 (0.46) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL17754349 0.96 MMP2 (0.46) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL17754299 0.90 KMT2A (0.46) MAPTALDH1A1CYP1A2CYP2D6F2
SCHEMBL17754303 0.86 KMT2A (0.43) MAPTCYP1A2CYP2D6F2PARP10
SCHEMBL16920540 0.85 F2 (0.48) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL12354572 0.84 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL2607375 0.84 MMP2 (0.55) MAPTALDH1A1POLBKMT2AGAA
SCHEMBL17754290 0.83 MAPT (0.52) MAPTALDH1A1CYP1A2POLBRAB9A
SCHEMBL2831629 0.83 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL17754333 0.83 MAPT (0.52) MAPTALDH1A1CYP1A2POLBRAB9A

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 MAPT 66/4885ALDH1A1 3640/4885CYP1A2 3422/4885

“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.