SCHEMBL1376772

SCHEMBL1376772

COc1cc(N(c2ccc(C)cc2)c2cc(OC)c3ccccc3c2)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
NQO1 P15559 1/20 0.41
MAPT P10636 3/20 0.39
TUBB3 Q13509 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8944409 0.89 EGFR (0.45) EGFRPDGFRBKDRNQO1MAPT
SCHEMBL1374260 0.82 ACP1 (0.44) EGFRPDGFRBKDRMAPTMEN1
SCHEMBL19018971 0.78 NQO1 (0.47) EGFRPDGFRBKDRNQO1MAPT
SCHEMBL12412340 0.78 CYP2A6 (0.53) CYP1A2CYP2A6MEN1KMT2ALMNA
SCHEMBL13241927 0.77 ALDH1A1 (0.47) MAPTCYP1A2CYP2A6AHRHPGD
SCHEMBL9973887 0.76 ALDH1A1 (0.41) EGFRPDGFRBKDRMAPTMEN1
SCHEMBL7835437 0.76 CYP2A6 (0.57) EGFRPDGFRBKDRNQO1MAPT
SCHEMBL13241087 0.76 PDGFRB (0.46) PDGFRBNQO1MAPTTUBB3CYP1A2
SCHEMBL25621958 0.74 ACHE (0.59) EGFRPDGFRBKDRMAPTTUBB3
SCHEMBL17702102 0.74 HTT (0.48) MAPTCYP1A2CYP2A6AHRHPGD

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-8623577-B2 Acrylic ester compound and manufacturing intermediate thereof, method for manufacturing acrylic ester compound, and latent electrostatic image bearing member, image forming method, image forming apparatus and process cartridge RICOH COMPANY, LTD. (JP) 2014-01-07 US disclosed
US-20110287353-A1 ACRYLIC ESTER COMPOUND AND MANUFACTURING INTERMEDIATE THEREOF, METHOD FOR MANUFACTURING ACRYLIC ESTER COMPOUND, AND LATENT ELECTROSTATIC IMAGE BEARING MEMBER, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2011-11-24 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-20110287353-A1 ACRYLIC ESTER COMPOUND AND MANUFACTURING INTERMEDIATE THEREOF, METHOD FOR MANUFACTURING ACRYLIC ESTER COMPOUND, AND LATENT ELECTROSTATIC IMAGE BEARING MEMBER, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE C9, PAM, NAA15 EGFR 1693/4885PDGFRB 2856/4885KDR 3088/4885

“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.