SCHEMBL14353322

SCHEMBL14353322

O=c1ccc2ccccc2[nH]1.[Zn]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.95
CA9 Q16790 5/20 0.95
CA1 P00915 2/20 0.95
CA4 P22748 2/20 0.95
CA6 P23280 2/20 0.95
CA3 P07451 1/20 0.95
CA5A P35218 1/20 0.95
CA7 P43166 1/20 0.95
CA13 Q8N1Q1 1/20 0.95
CA14 Q9ULX7 1/20 0.95
CA5B Q9Y2D0 1/20 0.95
ALDH1A1 P00352 1/20 0.52
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
F11 P03951 1/20 0.50
BRD4 O60885 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44

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
Hydrochloric Acid SCHEMBL28247699 0.98 CA12 (0.91) CA12CA9CA1CA4CA6
SCHEMBL8621 0.98 CA12 (1.00) CA12CA9CA1CA4CA6
SCHEMBL30958273 0.98 CA12 (1.00) CA12CA9CA1CA4CA6
SCHEMBL5437282 0.98 CA12 (1.00) CA12CA9CA1CA4CA6
SCHEMBL29351086 0.98 CA12 (1.00) CA12CA9CA1CA4CA6
Hydrochloric Acid SCHEMBL4429445 0.95 CA12 (0.95) CA12CA9CA1CA4CA6
SCHEMBL29489169 0.95 CA12 (0.95) CA12CA9CA1CA4CA6
Water SCHEMBL10661261 0.95 CA12 (0.95) CA12CA9CA1CA4CA6
Charcoal, Activated SCHEMBL30805655 0.95 CA12 (0.95) CA12CA9CA1CA4CA6
Hydrochloric Acid SCHEMBL1824447 0.95 CA12 (0.95) CA12CA9CA1CA4CA6

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-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N CA12 3425/4885CA9 3650/4885CA1 2833/4885

“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.