SCHEMBL16545625

SCHEMBL16545625

Nc1cc2c(OCC(=O)O)c(c1)Cc1cc(N)cc(c1OCC(=O)O)Cc1cc(N)cc(c1OCC(=O)O)Cc1cc(N)cc(c1OCC(=O)O)C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 5/20 0.63
▸ ELANE P08246 1/20 0.63
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ALOX15 P16050 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PTPN1 P18031 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN7 P35236 1/20 0.36

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
SCHEMBL2217463 0.77 CD69 (1.00) CD69ELANEKMT2APTGDR2ALOX15
SCHEMBL2184946 0.77 CD69 (1.00) CD69ELANEKMT2APTGDR2ALOX15
SCHEMBL19570312 0.77 CD69 (1.00) CD69ELANEKMT2AALOX15TSHR
SCHEMBL16545618 0.76 CD69 (0.56) CD69ELANEKMT2APTGDR2ALOX15
SCHEMBL14931907 0.76 MCL1 (0.45) CD69ELANEKMT2APTGDR2HSD17B10
SCHEMBL3924075 0.72 ALOX15 (0.54) CD69KMT2APTGDR2ALOX15TSHR
SCHEMBL29299544 0.72 CD69 (0.86) CD69ELANEKMT2APTGDR2ALOX15
SCHEMBL16545626 0.71 CD69 (0.83) CD69ELANEPTPN1SMN1; SMN2
SCHEMBL18538278 0.71 CD69 (0.54) CD69ELANEKMT2AKDM4E
SCHEMBL18538316 0.71 CD69 (0.54) CD69ELANEKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 — — 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 (1 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-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR CD69 672/4885ELANE 311/4885KMT2A 4750/4885

“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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