SCHEMBL29447261

SCHEMBL29447261

c1ccc2c(c1)OCC21COc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
LMNA P02545 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
AHR P35869 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
SCHEMBL29447260 1.00 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL9833025 1.00 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL29447257 1.00 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL29447258 0.88 ABCG2 (0.33) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL29447259 0.88 ABCG2 (0.33) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL24735666 0.76 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL10821693 0.76 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL21029007 0.76 TNKS (0.43) ABCG2ITGB2ICAM1ITGAL
SCHEMBL321566 0.76 NOTUM (0.42) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL30079574 0.76 TNKS (0.43) ABCG2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3730502-B1 SYNTHESIS AND APPLICATION OF OXASPIROCYCLODIPHOSPHINE LIGAND SHENZHEN CATALYS TECH CO LTD (CN) 2024-10-02 EP disclosed
US-12071444-B2 Synthesis and use of oxa-spirodiphosphine ligand SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2024-08-27 US disclosed
US-20220185835-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-06-16 US disclosed
US-11299507-B2 Synthesis and use of oxa-spirodiphosphine ligand SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2022-04-12 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 (3 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-20220185835-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND OXER1, OXGR1, ICOSLG ABCG2 1022/4885ITGB2 968/4885ICAM1 2140/4885
US-12071444-B2 Synthesis and use of oxa-spirodiphosphine ligand OXER1, OXGR1, ICOSLG ABCG2 1022/4885ITGB2 968/4885ICAM1 2140/4885
US-11299507-B2 Synthesis and use of oxa-spirodiphosphine ligand OXER1, OXGR1, FOXO1 ABCG2 953/4885ITGB2 750/4885ICAM1 1894/4885

“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.