SCHEMBL6029898

SCHEMBL6029898

COc1ccc2c(C(C)=[N+]=[N-])cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.67
▸ CA1 P00915 2/20 0.67
▸ CA3 P07451 2/20 0.67
▸ CA4 P22748 2/20 0.67
▸ CA5A P35218 2/20 0.67
▸ CA7 P43166 2/20 0.67
▸ CA9 Q16790 2/20 0.67
▸ CA14 Q9ULX7 2/20 0.67
▸ CA2 P00918 1/20 0.67
▸ CA5B Q9Y2D0 1/20 0.67
▸ KDM4E B2RXH2 9/20 0.57
▸ ALDH1A1 P00352 8/20 0.57
▸ HPGD P15428 6/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ LCK P06239 1/20 0.52
▸ CYP2D6 P10635 2/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT1 P42224 1/20 0.48

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
SCHEMBL6031059 0.83 CA12 (0.78) CA12CA1CA3CA4CA5A
SCHEMBL28878363 0.80 CA12 (1.00) CA12CA1CA3CA4CA5A
SCHEMBL6030323 0.80 CA12 (0.68) CA12CA1CA3CA4CA5A
SCHEMBL6030326 0.80 CA12 (0.68) CA12CA1CA3CA4CA5A
SCHEMBL28546496 0.77 CA12 (0.72) CA12CA1CA3CA4CA5A
SCHEMBL6030760 0.76 ALDH1A1 (0.71) CA12CA1CA3CA4CA5A
SCHEMBL3911979 0.75 KDM4E (0.69) CA12CA1CA3CA4CA5A
SCHEMBL14424527 0.75 KDM4E (0.73) CA12CA1CA3CA4CA5A
SCHEMBL571861 0.74 KDM4E (0.58) CA12CA1CA3CA4CA5A
SCHEMBL28895373 0.74 KDM4E (0.62) CA12CA1CA3CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060105458-A1 Caged tetracycline (derivatives), their generation, and their use for photoactivated gene expression MAX-PLANCK-GESELLSCHAFT ZUR FODERUNG DER WISSENSCHAFTEN E.V. (DE) 2006-05-18 — — US claimed
EP-1534839-A1 CAGED TETRACYCLINE (DERIVATIVES), THEIR GENERATION, AND THEIR USE FOR PHOTOACTIVATED GENE EXPRESSION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-06-01 — — EP claimed
WO-2004018686-A1 CAGED TETRACYCLINE (DERIVATIVES), THEIR GENERATION, AND THEIR USE FOR PHOTOACTIVATED GENE EXPRESSION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-03-04 — — WO claimed

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-20060105458-A1 Caged tetracycline (derivatives), their generation, and their use for photoactivated gene expression TET1, TEAD2, MYC CA12 4516/4885CA1 4413/4885CA3 4568/4885

“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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