SCHEMBL2736485

SCHEMBL2736485

CSc1cc(C)c(C)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ GRIN2D O15399 3/20 0.38
▸ GRIN3B O60391 3/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2A Q12879 3/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ GRIN2C Q14957 3/20 0.38
▸ GRIN3A Q8TCU5 3/20 0.38
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL215086 0.84 HSD17B10 (0.48) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL9431837 0.77 PDE3B (0.49) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL13991185 0.75 KDM4E (0.41) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL15478582 0.74 HSD17B10 (0.56) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL9432382 0.70 KDM4E (0.46) KDM4EHPGDGAAGRIN2DGRIN3B
SCHEMBL24550532 0.68 HSD17B10 (0.50) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL12946182 0.68 HSD17B10 (0.50) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL9846132 0.68 PDE3B (0.53) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL27271864 0.68 HSD17B10 (0.50) KDM4EHSD17B10HPGDGAAGRIN2D
SCHEMBL3372808 0.67 ALDH1A1 (0.38) HSD17B10HPGDGAAMAPTMAPK1

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
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 — — US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 — — US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R KDM4E 1679/4885HSD17B10 1907/4885HPGD 1511/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885HSD17B10 3418/4885HPGD 724/4885

“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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