SCHEMBL734470

SCHEMBL734470

Oc1ccc2oc(-c3ccc([18F])cc3)cc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.80
ESR2 Q92731 1/20 0.80
APP P05067 7/20 0.71
SHBG P04278 1/20 0.59
PTGES O14684 1/20 0.54
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP3 P42574 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49

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
SCHEMBL734509 1.00 ESR1 (0.80) ESR1ESR2APPSHBGPTGES
SCHEMBL3930549 0.90 ESR1 (0.74) ESR1ESR2APPSHBGPTGES
SCHEMBL3922677 0.89 ESR1 (1.00) ESR1ESR2APPSHBGPTGES
SCHEMBL29941531 0.89 ESR1 (1.00) ESR1ESR2APPSHBGPTGES
SCHEMBL733973 0.86 SHBG (0.80) ESR1ESR2APPSHBGHPGD
SCHEMBL734501 0.86 SHBG (0.80) ESR1ESR2APPSHBGHPGD
SCHEMBL30176923 0.86 SHBG (0.80) ESR1ESR2APPSHBGHPGD
SCHEMBL734894 0.83 ESR1 (0.80) ESR1ESR2APPSHBGPTGES
SCHEMBL28507078 0.83 ESR1 (0.80) ESR1ESR2APPSHBGPTGES
SCHEMBL30207689 0.83 ESR1 (0.80) ESR1ESR2APPSHBGPTGES

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-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-07-26 US disclosed
US-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-06-14 US disclosed
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 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 (3 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-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 ESR1 2586/4885ESR2 1457/4885APP 2/4885
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 ESR1 2826/4885ESR2 1599/4885APP 2/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 ESR1 2826/4885ESR2 1599/4885APP 2/4885

“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.