SCHEMBL3418484

SCHEMBL3418484

CC1=[N+](CCCCCCC(=O)O)c2ccc(F)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.36
TBXA2R P21731 3/20 0.36
AKR1B1 P15121 5/20 0.34
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LTB4R Q15722 1/20 0.31

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
SCHEMBL13173050 1.00 LMNA (0.40) LMNAMEN1MAPTTHRBHTT
SCHEMBL1105636 0.88 KMT2A (0.55) LMNAMEN1MAPTTHRBHTT
SCHEMBL28562582 0.88 KMT2A (0.55) LMNAMEN1MAPTTHRBHTT
SCHEMBL2614442 0.86 KMT2A (0.56) LMNAMEN1MAPTTHRBHTT
SCHEMBL14340364 0.86 TDP1 (0.37) LMNAMEN1MAPTTHRBHTT
SCHEMBL16500586 0.85 KMT2A (0.40) LMNAMEN1MAPTTHRBHTT
SCHEMBL18715387 0.85 MAPT (0.40) LMNAMEN1MAPTTHRBHTT
SCHEMBL19063420 0.85 MEN1 (0.40) LMNAMEN1MAPTTHRBHTT
Bromide SCHEMBL5458771 0.84 TDP1 (0.36) LMNAMEN1MAPTTHRBHTT
SCHEMBL10090439 0.84 TDP1 (0.42) LMNAMEN1MAPTTHRBHTT

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-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF LMNA 3234/4885MEN1 4213/4885MAPT 1476/4885

“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.