SCHEMBL12715186

SCHEMBL12715186

CC1(C)CC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)CC(C)(C)CC3=O)C(=O)O4)OC2=O)=C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 9/20 0.39
▸ APP P05067 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TAAR1 Q96RJ0 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
SCHEMBL12216668 0.92 GAA (0.39) GAATSHRALDH1A1APPMCL1
SCHEMBL13943136 0.84 GAA (0.54) GAATSHRALDH1A1APPMCL1
SCHEMBL12153959 0.84 GAA (0.54) GAATSHRALDH1A1APPMCL1
SCHEMBL12715267 0.82 GAA (0.42) GAATSHRALDH1A1MCL1NPSR1
SCHEMBL14562186 0.78 GAA (0.57) GAATSHRALDH1A1APPMCL1
SCHEMBL13967099 0.78 GAA (0.36) GAATSHRALDH1A1APPMCL1
SCHEMBL12715139 0.77 APP (0.43) APP
SCHEMBL13943828 0.77 ALDH1A1 (0.39) GAATSHRALDH1A1APPTHRB
SCHEMBL14224660 0.77 — —
SCHEMBL12715212 0.74 ALDH1A1 (0.35) ALDH1A1APPNPSR1KDM4EHPGD

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 7 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-7238461-B2 Optical information-recording medium, novel oxonol compound and method of recording information FUJIFILM CORPORATION (JP) 2007-07-03 — — US disclosed
US-20070020562-A1 Optical information-recording medium, novel oxonol compound and method of recording information FUJI PHOTO FILM CO., LTD. 2007-01-25 — — 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 GAA 3423/4885TSHR 4629/4885ALDH1A1 445/4885

“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