SCHEMBL6030760

SCHEMBL6030760

COc1ccc2cc(C(C)=[N+]=[N-])c(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.71
▸ HPGD P15428 5/20 0.71
▸ GAA P10253 3/20 0.71
▸ MAOB P27338 3/20 0.71
▸ SLC16A3 O15427 1/20 0.67
▸ KDM4E B2RXH2 6/20 0.62
▸ GLA P06280 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ RAB9A P51151 3/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ CA12 O43570 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ CA3 P07451 2/20 0.60
▸ CA6 P23280 2/20 0.60
▸ CA7 P43166 2/20 0.60
▸ CA14 Q9ULX7 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ CA4 P22748 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60

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
SCHEMBL1104931 0.83 ALDH1A1 (1.00) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL52650 0.81 ALDH1A1 (0.81) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL1366230 0.81 ALDH1A1 (0.81) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL16227665 0.81 ALDH1A1 (0.66) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL203997 0.80 SLC16A3 (1.00) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL22001514 0.80 ALDH1A1 (0.72) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL6687148 0.79 MAOB (0.76) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL11829416 0.79 ALDH1A1 (0.76) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL455614 0.79 ALDH1A1 (0.76) ALDH1A1HPGDGAAMAOBSLC16A3
SCHEMBL22001389 0.78 ALDH1A1 (0.70) ALDH1A1HPGDGAAMAOBSLC16A3

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 disclosed
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 disclosed
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 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-20060105458-A1 Caged tetracycline (derivatives), their generation, and their use for photoactivated gene expression TET1, TEAD2, MYC ALDH1A1 2886/4885HPGD 2174/4885GAA 2442/4885

“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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