SCHEMBL6319759

SCHEMBL6319759

O=[C]/C=C(\C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.52
CES1 P23141 8/20 0.52
AKR1C1 Q04828 1/20 0.44
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKT1 P31749 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL20959565 0.82 CES2 (0.50) CES2CES1AKR1C1ALDH1A1MAPK1
SCHEMBL11816610 0.76 CES2 (0.59) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL11816613 0.76 CES2 (0.59) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL8734925 0.76 CES2 (0.59) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL8734921 0.76 CES2 (0.59) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL11881116 0.76 CES2 (0.59) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL12396909 0.74 CES2 (0.56) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL112003 0.74 CES2 (0.56) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL7607185 0.74 CES1 (0.39) CES2CES1AKR1C1ALDH1A1DAO
SCHEMBL27771233 0.74 CES2 (0.56) CES2CES1AKR1C1ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960667-B2 Fluorescent maleimides and uses thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-01 US disclosed
US-20030189191-A1 Fluorescent maleimides and uses thereof KUNIMOTO KAZUHIKO (JP) 2003-10-09 US disclosed
US-6508957-B2 Ultraviolet fluorescent material for void detection and for preparation of scintillators, films, luminescent solar energy collectors, organic electroluminescent devices, printing inks, electrophotographic toners CIBA SPECIALTY CHEMICALS CORPORATION 2003-01-21 US disclosed
US-20020065422-A1 Fluorescent maleimides and uses thereof KUNIMOTO KAZUHIKO (JP) 2002-05-30 US disclosed
US-6258954-B1 ELECTROLUMINESCENCE; DETECTION VOIDS CIBA SPECIALTY CHEMICALS CORP. 2001-07-10 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-20020065422-A1 Fluorescent maleimides and uses thereof IK, PAH, MYO1F CES2 2780/4885CES1 3843/4885AKR1C1 584/4885
US-20030189191-A1 Fluorescent maleimides and uses thereof CBR1, CBR3, MT-CO2 CES2 288/4885CES1 239/4885AKR1C1 1066/4885

“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.