SCHEMBL23619645

SCHEMBL23619645

CCNc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 1/20 0.45
STAT3 P40763 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RAB9A P51151 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
AGTR1 P30556 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41

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
SCHEMBL22661373 0.87 POLB (0.50) CA1CA2CA12CA9CA14
SCHEMBL1206152 0.85 CA1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL2338862 0.83 ALDH1A1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL23139562 0.82 CA12 (0.49) CA1CA2CA12CA9CA14
SCHEMBL433863 0.82 ELANE (0.44) CA1CA2CA12CA9CA14
SCHEMBL9809366 0.82 POLB (0.49) CA1CA2CA12CA9CA14
SCHEMBL1798924 0.82 POLB (0.64) CA1CA2CA12CA9CA14
SCHEMBL109451 0.81 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL22940491 0.81 POLB (0.72) CA1CA2CA12CA9CA14
SCHEMBL7504783 0.81 ALDH1A1 (0.49) POLBSTAT3ABCG2RAB9AHPGD

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-20220127297-A1 Novel Antibacterial 3\"-Derivatives Of 4,6-Disubstituted 2,5-Dideoxystreptamine Aminoglycoside Antibiotics AGILEBIOTICS B.V. (NL) 2022-04-28 US disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 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 (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-20220127297-A1 Novel Antibacterial 3\"-Derivatives Of 4,6-Disubstituted 2,5-Dideoxystreptamine Aminoglycoside Antibiotics ABCC1, AMPD3, MRPS35 CA1 4884/4885CA2 4802/4885CA12 4879/4885

“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.