SCHEMBL2154447

SCHEMBL2154447

CC(=O)c1c(Br)c2ccccc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.69
▸ CA9 Q16790 6/20 0.69
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ VKORC1 Q9BQB6 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ NT5E P21589 1/20 0.45

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
SCHEMBL15842273 0.84 CA12 (0.75) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL30933370 0.81 CA12 (1.00) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL3527681 0.81 CA12 (1.00) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL24358817 0.79 CA12 (0.67) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL24199378 0.78 CA12 (0.66) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL6578099 0.78 CA12 (0.65) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL28844992 0.78 CA12 (0.65) CA12CA9HSD17B10KDM4EALDH1A1
SCHEMBL18702897 0.77 CA12 (0.47) CA12CA9HSD17B10KDM4EALDH1A1
SCHEMBL13315777 0.76 CA12 (0.63) CA12CA9KDM4EALDH1A1SMN1; SMN2
SCHEMBL5472418 0.76 HSD17B10 (0.54) CA12CA9HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927727-B2 Thiol detection THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-06 — — US disclosed
EP-2574193-A2 THIOL DETECTION Strongin, Robert, M. (US) 2013-04-03 — — EP disclosed
US-20120276649-A1 THIOL DETECTION THE OREGON BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY 2012-11-01 — — US disclosed
WO-2011082354-A2 THIOL DETECTION THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2011-07-07 — — 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-20120276649-A1 THIOL DETECTION GLO1, AHCY, BHMT2 CA12 292/4885CA9 921/4885HSD17B10 551/4885

“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.

Send feedback