SCHEMBL5961847

SCHEMBL5961847

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
PLK1 P53350 3/20 0.51
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G4B P0C869 2/20 0.48
PTPN11 Q06124 2/20 0.47

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
SCHEMBL3712188 0.95 MAPT (0.55) KMT2AMAPTPRSS1ACRNPC1
SCHEMBL3712497 0.92 TP53 (0.60) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL13152978 0.92 TP53 (0.60) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL15939509 0.90 MAPT (0.50) KMT2AMAPTPLK1PRSS1ACR
SCHEMBL5961855 0.86 MAPT (0.50) KMT2AMAPTPLK1PRSS1ACR
SCHEMBL9161712 0.85 RARB (0.64) NPC1LMNATP53TSHRNFKB1
SCHEMBL12825454 0.84 MAPT (0.54) KMT2AMAPTPRSS1ACRNPC1
SCHEMBL26602072 0.83 NPC1 (0.57) KMT2AMAPTPLK1PRSS1ACR
SCHEMBL10881305 0.83 MAPT (0.69) KMT2AMAPTPRSS1ACRNPC1
SCHEMBL5961854 0.82 L3MBTL1 (0.46) KMT2AMAPTPLK1PRSS1ACR

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 KMT2A 1856/4885MAPT 3921/4885PLK1 4259/4885

“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.