SCHEMBL5961855

SCHEMBL5961855

CCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C(=O)OCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7147757 0.96 MAPT (0.51) MAPTKMT2APRSS1ACRLMNA
SCHEMBL495312 0.87 NPC1 (0.53) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL5961847 0.86 KMT2A (0.54) MAPTKMT2APRSS1ACRLMNA
SCHEMBL13152962 0.86 NPC1 (0.57) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL17229438 0.86 POLB (0.51) MAPTKMT2APRSS1ACRLMNA
SCHEMBL5961764 0.86 MAPT (0.45) MAPTKMT2APRSS1ACRLMNA
SCHEMBL25226767 0.85 MAPT (0.46) MAPTKMT2APRSS1ACRLMNA
SCHEMBL5961854 0.84 L3MBTL1 (0.46) MAPTKMT2APRSS1ACRLMNA
SCHEMBL18589724 0.84 NPC1 (0.46) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL5961866 0.83 NPC1 (0.47) MAPTKMT2ALMNANPC1CYP1A2

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-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF CHISSO CORPORATION (JP) 2011-06-16 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-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF LEF1, AFF1, CNKSR1 MAPT 3921/4885KMT2A 1856/4885PRSS1 4820/4885

“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.