SCHEMBL3510313

SCHEMBL3510313

NCCN(CCO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3985289 0.89 GLRA1 (0.37) ALDH1A1TSHRALOX15GLRA1SLC6A9
SCHEMBL2493116 0.87 CA12 (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9065819 0.86 LMNA (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL621722 0.84 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL4281077 0.80 CA12 (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL3504892 0.80 ALDH1A1 (0.33) ALDH1A1TSHRCA12CA1CA2
SCHEMBL27397564 0.78 CA12 (0.32) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9243432 0.78 CA12 (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6247927 0.77 CAMK2A (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL6883197 0.77 CA12 (0.35) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052932-A Composition, method for preparing copolymer and end use of copolymer 美国陶氏有机硅公司 2022-09-13 CN disclosed
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 ALDH1A1 3643/4885TSHR 519/4885CA12 2140/4885
US-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D ALDH1A1 117/4885TSHR 1280/4885CA12 3578/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D ALDH1A1 91/4885TSHR 1959/4885CA12 4290/4885

“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.