SCHEMBL3745900

SCHEMBL3745900

NCCNCCNCCNCCN.NCCNCCNCCNCCNCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 1.00
▸ CA6 P23280 5/20 1.00
▸ CA7 P43166 5/20 1.00
▸ CA9 Q16790 5/20 1.00
▸ CA14 Q9ULX7 5/20 1.00
▸ CA5B Q9Y2D0 5/20 1.00
▸ CA2 P00918 4/20 1.00
▸ CA4 P22748 4/20 1.00
▸ CA5A P35218 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ CA3 P07451 3/20 1.00
▸ ALOX15 P16050 3/20 1.00
▸ CA1 P00915 2/20 1.00
▸ ALDH1A1 P00352 1/20 1.00
▸ TP53 P04637 1/20 1.00
▸ KDM4E B2RXH2 1/20 0.92
▸ MEN1 O00255 2/20 0.91
▸ RECQL P46063 2/20 0.91
▸ KMT2A Q03164 2/20 0.91

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
SCHEMBL2538760 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL869476 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL10917234 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL28170 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25340653 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342018 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL16241859 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342922 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL3408042 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL181401 1.00 CA12 (1.00) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837323-A REACTION PRODUCT OF A,B-ETHYLENICALLY UNSATURATED ALDEHYDE WITH ORGANIC AMINE THE DOW CHEMICAL COMPANY (US) 1989-06-06 — — US claimed
CN-115769131-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 — — CN disclosed
CN-115769130-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 — — CN disclosed
CN-115720640-A Glasses lens 豪雅镜片泰国有限公司 2023-02-28 — — CN disclosed
US-20210197172-A1 REGENERATIVE ADSORBENTS OF MODIFIED AMINES ON SOLID SUPPORTS UNIVERSITY OF SOUTHERN CALIFORNIA 2021-07-01 — — US disclosed
US-8182596-B2 Discolorable ink composition and writing utensils SAKURA COLOR PRODUCTS CORPORATION (JP) 2012-05-22 — — US disclosed
US-20100275813-A1 DISCOLORABLE INK COMPOSITION AND WRITING UTENSILS SAKURA COLOR PRODUCTS CORPORATION (JP) 2010-11-04 — — US disclosed
EP-1669406-B1 THERMOPLASTIC ELASTOMER COMPOSITION KANEKA CORP (JP) 2008-12-24 — — EP 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-20210197172-A1 REGENERATIVE ADSORBENTS OF MODIFIED AMINES ON SOLID SUPPORTS SRM, SMOX, ARG1 CA12 1698/4885CA6 3600/4885CA7 3339/4885

“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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