SCHEMBL2831077

SCHEMBL2831077

Nc1ccc(C=Cc2ccc(OCC(CO)CF)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 9/20 1.00
▸ CYP19A1 P11511 5/20 0.44
▸ NQO2 P16083 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2831859 0.91 APP (0.83) APPCYP19A1NQO2NPC1MTOR
SCHEMBL2832302 0.82 APP (1.00) APP
SCHEMBL2836231 0.80 APP (0.66) APPNPC1LMNAMAPTMAOB
SCHEMBL2836229 0.80 APP (0.66) APPNPC1LMNAMAPTMAOB
SCHEMBL13096202 0.76 APP (0.61) APPCYP19A1NQO2MAOAMAOB
SCHEMBL3969883 0.73 APP (0.58) APPCYP19A1NQO2NPC1MTOR
SCHEMBL14355946 0.73 APP (0.56) APPCYP19A1TDP1MAPTMAOA
SCHEMBL16501347 0.73 APP (0.56) APPCYP19A1TDP1MAPTMAOA
SCHEMBL2829057 0.72 APP (1.00) APP
SCHEMBL13096197 0.71 APP (0.55) APPCYP19A1NQO2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213652-B1 Stilbene derivatives and their use for binding and imaging amyloid plaques UNIV PENNSYLVANIA (US) 2014-10-22 — — EP disclosed
US-8465726-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-18 — — US disclosed
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
US-20100266500-A1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-10-21 — — US disclosed
US-7807135-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-10-05 — — US disclosed
EP-2213652-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques The Trustees of The University of Pennsylvania (US) 2010-08-04 — — EP disclosed
US-20060269474-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-11-30 — — US disclosed
US-20060269473-A1 Stilbene derivatives and their use for binding and imaging amyoid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-11-30 — — 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-20060269473-A1 Stilbene derivatives and their use for binding and imaging amyoid plaques IAPP, APP, APBA1 APP 2/4885CYP19A1 4086/4885NQO2 3725/4885
US-20100266500-A1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, APBA1, PSEN1 APP 1/4885CYP19A1 4622/4885NQO2 2826/4885
US-20060269474-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885CYP19A1 4622/4885NQO2 2826/4885

“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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