SCHEMBL12229607

SCHEMBL12229607

CCOC(=O)C1(CC)CC(C)=NO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ OPRM1 P35372 3/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ OPRK1 P41145 2/20 0.31

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
SCHEMBL24471503 0.89 ATM (0.36) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL25061588 0.86 LMNA (0.36) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL25061767 0.86 F10 (0.38) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL12229002 0.85 TP53 (0.38) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL25061655 0.85 TSHR (0.32) TSHR
SCHEMBL25061662 0.84 — —
SCHEMBL3908913 0.84 ATM (0.35) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL25061664 0.83 GABRP (0.32) MEN1KMT2A
SCHEMBL12229003 0.83 CRBN (0.40) ATMPOLBMAPTMAPK1ABCB11
SCHEMBL25061447 0.82 ABCB11 (0.43) ATMPOLBMAPTMAPK1ABCB11

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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ATM 4081/4885POLB 1532/4885MAPT 4681/4885
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 ATM 4299/4885POLB 3229/4885MAPT 4461/4885

“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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