SCHEMBL17358644

SCHEMBL17358644

COCC1=CC(=O)OC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL22334236 0.80 POLB (0.30) POLB
SCHEMBL7235362 0.79 ALDH1A1 (0.33) ALDH1A1ACHE
SCHEMBL17358658 0.78 POLB (0.31) POLBLMNAMAPTKMT2AL3MBTL1
SCHEMBL12779376 0.76 ACHE (0.32) ACHE
SCHEMBL3370983 0.76 ACHE (0.32) GLANPSR1LMNAMAPTKMT2A
SCHEMBL7682479 0.76 ACHE (0.32) ALDH1A1ACHE
SCHEMBL12844899 0.76 ACHE (0.32) ACHE
SCHEMBL6948155 0.76 ACHE (0.32) ACHE
SCHEMBL7237918 0.74 PTPN1 (0.35) LMNAL3MBTL1ALDH1A1ACHE
SCHEMBL178866 0.73 L3MBTL1 (0.32) L3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2015-12-24 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-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS GLA 1886/4885NPSR1 1445/4885POLB 783/4885

“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.