SCHEMBL15217855

SCHEMBL15217855

C=CC(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.65
CYP1A2 P05177 1/20 0.61
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CA12 O43570 2/20 0.36
POLB P06746 2/20 0.36
CA9 Q16790 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL3974521 0.85 APP (0.72) APPCYP1A2KDM4EALDH1A1HPGD
SCHEMBL18653522 0.84 APP (0.70) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL21211676 0.82 APP (0.70) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL19627052 0.82 APP (0.64) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL18932158 0.81 APP (0.74) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL24179877 0.81 APP (0.72) APPCYP1A2ALDH1A1HPGDCA12
SCHEMBL12189748 0.80 APP (0.67) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL10038463 0.79 APP (0.75) APPCYP1A2KDM4EKMT2AMEN1
SCHEMBL563392 0.79 APP (1.00) APPCYP1A2KDM4ENPC1ALDH1A1
SCHEMBL31115697 0.79 APP (1.00) APPCYP1A2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9506929-B2 Selective detection of amino group containing thiols PORTLAND STATE UNIVERSITY (US) 2016-11-29 US disclosed
US-9506929-B2 Selective detection of amino group containing thiols PORTLAND STATE UNIVERSITY (US) 2016-11-29 US disclosed
US-20150010938-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-08 US disclosed
US-20150010938-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-08 US disclosed
WO-2013126816-A1 SELECTIVE DETECTION OF THIOLS OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-08-29 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-20150010938-A1 SELECTIVE DETECTION OF THIOLS CBS, CTH, GSTM2 APP 2544/4885CYP1A2 1062/4885KDM4E 4336/4885

“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.