SCHEMBL10030486

SCHEMBL10030486

C=C(C)C(=O)OCCOc1nc(Oc2ccc(-c3ccccc3)cc2)nc(Oc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PKM P14618 2/20 0.39
LTA4H P09960 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38

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
SCHEMBL10030485 0.94 POLB (0.40) PAX8POLBAPEX1HTTTDP1
SCHEMBL10030483 0.92 PAX8 (0.52) PAX8POLBAPEX1HTTTDP1
SCHEMBL10030479 0.85 RAB9A (0.42) PAX8POLBAPEX1HTTTDP1
SCHEMBL9807301 0.84 POLB (0.59) POLBAPEX1HTTTDP1PKM
SCHEMBL18960047 0.84 POLB (0.59) POLBAPEX1HTTTDP1PKM
SCHEMBL17795875 0.81 THRB (0.58) PAX8BCHEACHEPKMLTA4H
SCHEMBL25123439 0.81 POLB (0.56) POLBAPEX1HTTTDP1HDAC3
SCHEMBL25796434 0.81 POLB (0.56) POLBAPEX1HTTTDP1HDAC3
SCHEMBL10030478 0.81 HTT (0.39) PAX8POLBAPEX1HTTTDP1
SCHEMBL2360555 0.80 THRB (0.53) POLBAPEX1HTTTDP1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012582-B2 Transparent high-refractive-index resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-21 US disclosed
US-9012582-B2 Transparent high-refractive-index resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-21 US disclosed
WO-2013094618-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND COMPOUND 日産化学工業株式会社 (JP) 2013-06-27 WO disclosed
US-20120142878-A1 TRANSPARENT HIGH-REFRACTIVE-INDEX RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-07 US disclosed
US-20120142878-A1 TRANSPARENT HIGH-REFRACTIVE-INDEX RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-07 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-20120142878-A1 TRANSPARENT HIGH-REFRACTIVE-INDEX RESIN COMPOSITION TERB1, H1-5, RRP15 PAX8 3367/4885POLB 3063/4885APEX1 2121/4885

“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.