SCHEMBL2614432

SCHEMBL2614432

CCCC[N+]1=C(C)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
HTT P42858 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
THRB P10828 1/20 0.69
RECQL P46063 1/20 0.69
KMT2A Q03164 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 1/20 0.36
APP P05067 1/20 0.35
PRMT5 O14744 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
PPARG P37231 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
SCHEMBL27278154 0.95 HTT (0.68) MAPTHTTMEN1LMNATHRB
SCHEMBL2614412 0.90 MEN1 (0.73) MAPTHTTMEN1LMNATHRB
SCHEMBL14221833 0.84 MEN1 (0.69) MAPTHTTMEN1LMNATHRB
SCHEMBL17268215 0.84 MEN1 (0.60) MAPTHTTMEN1LMNATHRB
SCHEMBL2614402 0.83 LMNA (0.97) MAPTHTTMEN1LMNATHRB
SCHEMBL12893718 0.83 MAPT (0.67) MAPTHTTMEN1LMNATHRB
SCHEMBL7750100 0.81 LMNA (0.47) MAPTHTTMEN1LMNATHRB
SCHEMBL6870013 0.81 MAPT (0.50) MAPTHTTMEN1LMNATHRB
SCHEMBL2614442 0.80 KMT2A (0.56) MAPTHTTMEN1LMNATHRB
SCHEMBL7750107 0.80 MAPT (0.46) MAPTHTTMEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729276-B2 Cyanine compound for labeling biomolecule and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-20 US disclosed
US-20120095187-A1 NOVEL CYANINE COMPOUND FOR LABELING BIOMOLECULE AND PREPARATION METHOD THEREOF DKC CORPORATION (KR) 2012-04-19 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-20120095187-A1 NOVEL CYANINE COMPOUND FOR LABELING BIOMOLECULE AND PREPARATION METHOD THEREOF MRPL21, MB, CCNB1 MAPT 2264/4885HTT 3119/4885MEN1 261/4885

“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.