SCHEMBL112622

SCHEMBL112622

CCCCCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
APP P05067 1/20 0.45
HTT P42858 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 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
SCHEMBL13592714 1.00 MAPT (0.45) MAPTAPPHTTMEN1KMT2A
SCHEMBL13591490 1.00 MAPT (0.45) MAPTAPPHTTMEN1KMT2A
SCHEMBL16696032 1.00 MAPT (0.45) MAPTAPPHTTMEN1KMT2A
SCHEMBL20253062 1.00 MAPT (0.45) MAPTAPPHTTMEN1KMT2A
SCHEMBL13365118 1.00 MAPT (0.45) MAPTAPPHTTMEN1KMT2A
Iodide SCHEMBL21314819 0.98 MAPT (0.47) MAPTAPPHTTMEN1KMT2A
Bromide SCHEMBL18301315 0.98 MAPT (0.44) MAPTAPPHTTMEN1KMT2A
Perchlorate SCHEMBL3631533 0.94 MAPT (0.42) MAPTAPPHTTMEN1KMT2A
Perchlorate SCHEMBL1405631 0.94 MAPT (0.42) MAPTAPPHTTMEN1KMT2A
SCHEMBL6870013 0.94 MAPT (0.50) MAPTAPPHTTMEN1KMT2A

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-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8834846-B2 Fluorescent NIRF activatable probes for disease detection BRUKER BIOSPIN CORPORATION (US) 2014-09-16 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION BRUKER BIOSPIN CORPORATION 2011-12-01 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-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES LASP1, LSS, SELL MAPT 1897/4885APP 3689/4885HTT 2631/4885
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION CTSF, ENGASE, DNTT MAPT 1543/4885APP 617/4885HTT 1794/4885

“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.