SCHEMBL4210103

SCHEMBL4210103

O=C(O)c1cccc(C#CC2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 7/20 0.50
▸ PTGES O14684 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ KMO O15229 2/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31044544 1.00 HAO1 (0.50) HAO1PTGESFFAR1KMOCA12
SCHEMBL4973133 0.82 CA12 (0.56) KMOCA12CA1CA2CA6
SCHEMBL28412411 0.81 GRM5 (0.49) HAO1PTGESHPGDKDM4EALDH1A1
SCHEMBL927052 0.79 FFAR1 (0.58) HAO1FFAR1CA12CA1CA2
SCHEMBL1927619 0.78 SLC7A11 (0.55) KMOCA12CA1CA2CA6
SCHEMBL10412856 0.78 CA12 (0.52) KMOCA12CA1CA2CA6
SCHEMBL23675085 0.76 PTGES (0.46) HAO1PTGESFFAR1GRM5
SCHEMBL13780436 0.75 CA12 (0.48) KMOCA12CA1CA2CA6
SCHEMBL29488328 0.75 CA12 (0.48) HAO1KMOCA12CA1CA2
SCHEMBL2747196 0.75 RARB (0.53) KMOCA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285874-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 — — CN disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 — — 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 (2 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HAO1 3201/4885PTGES 3211/4885FFAR1 3437/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF HAO1 1344/4885PTGES 3427/4885FFAR1 4472/4885

“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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