SCHEMBL2199557

SCHEMBL2199557

CC1(C)c2ccccc2-c2ccc(N3CCCc4cc(/C=C/C=O)ccc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SRD5A1 P18405 2/20 0.35
CREBBP Q92793 3/20 0.34
APP P05067 2/20 0.34
OPRM1 P35372 7/20 0.32
OPRK1 P41145 7/20 0.32
OPRD1 P41143 6/20 0.32
BRD4 O60885 1/20 0.32
EED O75530 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
SCHEMBL2199560 1.00 PDK2 (0.39) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL2200992 0.90 ALDH1A1 (0.48) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL2199563 0.80 PDK2 (0.41) PDK2OPRM1OPRK1OPRD1
SCHEMBL12305827 0.80 PDK2 (0.38) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL13365967 0.79 EED (0.38) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL12428502 0.79 MAPT (0.39) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL2201637 0.78 ALDH1A1 (0.46) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL2201633 0.78 ALDH1A1 (0.46) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL13365759 0.77 MAPT (0.36) PDK2MAPTMEN1ALDH1A1GAA
SCHEMBL13364087 0.77 EED (0.37) PDK2MAPTMEN1ALDH1A1GAA

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-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
EP-1885015-A1 DYE-SENSITIZED PHOTOELECTRIC CONVERSION DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2008-02-06 EP 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-20090084441-A1 Dye-sensitized photoelectric conversion device CRY1, H1-5, H1-0 PDK2 1511/4885MAPT 4642/4885MEN1 251/4885

“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.