SCHEMBL12715210

SCHEMBL12715210

CCCCC1(C)OC(=O)C(=C/C=C/C=C/C2=C(O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)OC5(CCC6(CC5)OC(=O)C(=C/C=C/C=C/C5=C(O)OC(C)(CCCC)OC5=O)C(=O)O6)OC3=O)C(=O)O4)OC2=O)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CRHBP P24387 2/20 0.36
▸ CRHR2 Q13324 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PTPN1 P18031 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ APP P05067 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL12216676 0.94 APP (0.33) PTPN1ACP1CDC25BAPP
SCHEMBL12715203 0.94 APP (0.33) PTPN1ACP1CDC25BAPP
SCHEMBL12715200 0.92 APP (0.34) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL12715425 0.92 APP (0.34) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL13911143 0.91 APP (0.32) APP
SCHEMBL12715323 0.89 APP (0.37) APP
SCHEMBL12715131 0.89 APP (0.34) APP
SCHEMBL12715209 0.89 APP (0.34) APP
SCHEMBL12715180 0.88 APP (0.35) ALDH1A1KMT2AHPGDMEN1PTPN1
SCHEMBL13385115 0.87 APP (0.32) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7924697-B2 Optical information recording medium, image-recording method and method of utilizing a dye FUJIFILM CORPORATION (JP) 2011-04-12 — — US disclosed
US-7924697-B2 Optical information recording medium, image-recording method and method of utilizing a dye FUJIFILM CORPORATION (JP) 2011-04-12 — — US disclosed
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — 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-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium KCNB1, KCNMB1, HCN2 ALDH1A1 445/4885KMT2A 2987/4885CYP1A2 1328/4885

“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.

Send feedback