SCHEMBL4059613

SCHEMBL4059613

CCOCCOc1ccc(-c2ccc(OCCOCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.53
CYP2D6 P10635 4/20 0.52
CYP3A4 P08684 3/20 0.52
THRA P10827 1/20 0.50
NQO1 P15559 1/20 0.50
NCF1 P14598 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
RARA P10276 1/20 0.45
PDE3B Q13370 1/20 0.44

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
SCHEMBL4053878 0.94 RARB (0.53) RARBCYP2D6CYP3A4THRANQO1
SCHEMBL4061378 0.93 NQO1 (0.57) RARBCYP2D6CYP3A4THRANQO1
SCHEMBL4064818 0.92 HRH2 (0.48) RARBCYP2D6CYP3A4THRANQO1
SCHEMBL4061901 0.92 CHRNB2 (0.57) RARBCYP2D6CYP3A4KDM4EL3MBTL1
SCHEMBL15250523 0.92 RARB (0.47) RARBCYP2D6CYP3A4THRANQO1
SCHEMBL15250560 0.92 MCHR1 (0.51) RARBCYP2D6CYP3A4THRANCF1
SCHEMBL9150174 0.91 KDM4E (0.56) RARBCYP2D6CYP3A4THRANQO1
SCHEMBL5030270 0.90 CHRNB2 (0.56) RARBCYP2D6CYP3A4KDM4ERECQL
SCHEMBL6889363 0.90 CHRNB2 (0.56) RARBCYP2D6CYP3A4KDM4ERECQL
SCHEMBL15250565 0.90 RARB (0.50) RARBCYP2D6CYP3A4THRANQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195194-A1 CATIONIC RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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 (2 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-20110195194-A1 CATIONIC RADIATION CURABLE COMPOSITIONS NR2E3, NR2E1, CCNE2 RARB 305/4885CYP2D6 851/4885CYP3A4 1675/4885
US-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM RARB 142/4885CYP2D6 2877/4885CYP3A4 2999/4885

“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.