SCHEMBL800430

SCHEMBL800430

COc1nc(C(=O)OC(C)(C)C)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.35
GABRB3 P28472 9/20 0.35
GABRA5 P31644 8/20 0.35
GABRA1 P14867 8/20 0.35
GABRA3 P34903 8/20 0.35
GABRA2 P47869 8/20 0.35
HPGDS O60760 1/20 0.34
GABRA6 Q16445 6/20 0.33
GABRA4 P48169 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRE P78334 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL164417 0.79 HPGDS (0.35) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL28575317 0.78 FBP1 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL25014083 0.74 FBP1 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL11035430 0.74 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL30424999 0.72 ALDH1A1 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL20352133 0.69 ATR (0.42) HDAC1DAGLAMEN1GAAKMT2A
SCHEMBL30177496 0.67 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5500301 0.67 MAPT (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL11034443 0.66 L3MBTL1 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3583659 0.66 C3AR1 (0.35) LMNAHDAC1HDAC8HDAC6FBP1

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 GABRG2 4300/4885GABRB3 3528/4885GABRA5 4632/4885

“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.