SCHEMBL4112764

SCHEMBL4112764

O=C1OC[C@H](c2ccccc2)N1C(=O)C1C=C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAAA Q02083 1/20 0.38
IDH1 O75874 5/20 0.38
HDAC1 Q13547 2/20 0.38
GLS O94925 2/20 0.37
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL3925569 0.84 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3925572 0.84 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915731 0.84 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915734 0.84 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7881141 0.81 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801378 0.81 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801381 0.81 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL30032505 0.81 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7204889 0.80 ALDH1A1 (0.42) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7202710 0.80 ALDH1A1 (0.42) ALDH1A1GAAHTTNPC1LMNA

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-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 US disclosed
US-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 US disclosed
US-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 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-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS SKIC8, TCOF1, TTI2 ALDH1A1 2587/4885GAA 4800/4885HTT 1166/4885

“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.