SCHEMBL17754349

SCHEMBL17754349

C=CC(=O)COc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP3 P08254 6/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
KMT2A Q03164 1/20 0.41

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 1.00 MMP2 (0.46) MMP2MAPTALDH1A1KDM4EMMP3
SCHEMBL17754289 0.96 MAPT (0.47) MMP2MAPTALDH1A1LMNATP53
SCHEMBL17754303 0.91 KMT2A (0.43) MAPTLMNATP53CYP1A2CYP2D6
SCHEMBL2607375 0.89 MMP2 (0.55) MMP2MAPTALDH1A1KDM4EMMP3
SCHEMBL17754299 0.87 KMT2A (0.46) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL17754329 0.85 KMT2A (0.49) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL17754318 0.85 KMT2A (0.49) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL5855876 0.85 MMP2 (0.48) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL10581417 0.85 MMP2 (0.48) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL16449872 0.83 MMP2 (0.44) MMP2MAPTALDH1A1MMP3MMP1

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 MMP2 2013/4885MAPT 66/4885ALDH1A1 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.