SCHEMBL13653528

SCHEMBL13653528

CCOP(=O)(CCCC#Cc1cc(C(C)=O)ccc1C)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ PPARD Q03181 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
SCHEMBL14045211 0.82 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13654101 0.82 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13658983 0.77 MAPT (0.39) MAPTHDAC8CREBBPPPARDALDH1A1
SCHEMBL13653518 0.73 GABRP (0.38) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL13529951 0.69 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7204369 0.68 TSHR (0.39) MAPTALDH1A1TSHR
SCHEMBL6785258 0.68 ALDH1A1 (0.49) MAPTALDH1A1TSHR
SCHEMBL13529953 0.68 NOTUM (0.46) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL13653529 0.67 L3MBTL1 (0.66) MAPTALDH1A1TSHR
SCHEMBL2232691 0.64 KMT2A (0.42) CREBBPALDH1A1

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAPT 2574/4885GABRP 1156/4885GABRD 3405/4885

“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.

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