SCHEMBL25528807

SCHEMBL25528807

CC(C)(C)OC(=O)C(Cc1ccc(I)cc1I)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 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
SCHEMBL29286181 0.90 MTNR1A (0.33) MTNR1AMTNR1BITGA4ITGB7GABRA1
SCHEMBL29286182 0.90 MTNR1A (0.33) MTNR1AMTNR1BITGA4ITGB7GABRA1
SCHEMBL18170236 0.88 AAK1 (0.39) MTNR1AMTNR1BITGA4ITGB7
SCHEMBL30716049 0.82 ITGA4 (0.37) ITGA4ITGB7
SCHEMBL23544355 0.79 SLC7A5 (0.38) MTNR1AMTNR1BITGA4ITGB7GABRA1
SCHEMBL29286178 0.79 SLC7A5 (0.38) MTNR1AMTNR1BITGA4ITGB7GABRA1
SCHEMBL28511408 0.78 AAK1 (0.39) MTNR1AMTNR1B
SCHEMBL18805055 0.78 ELANE (0.39) MTNR1AMTNR1B
SCHEMBL25528806 0.78 AAK1 (0.40) MTNR1AMTNR1BITGA4ITGB7
SCHEMBL18179190 0.77 AAK1 (0.39) ITGA4ITGB7

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-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD. (CN) 2023-08-03 — — US disclosed
US-11655261-B2 Method for preparing 18F-BPA and intermediate NEUBORON MEDTECH LTD. (CN) 2023-05-23 — — 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-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE CYP19A1, SHBG, ESR1 MTNR1A 1985/4885MTNR1B 2036/4885ITGA4 3738/4885
US-11655261-B2 Method for preparing 18F-BPA and intermediate CYP19A1, SHBG, ESR1 MTNR1A 1985/4885MTNR1B 2036/4885ITGA4 3738/4885

“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.

Send feedback