SCHEMBL5496841

SCHEMBL5496841

OCc1cc[c]c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PRKCI P41743 1/20 0.38
CFTR P13569 1/20 0.38
NOTUM Q6P988 3/20 0.37
CNR2 P34972 1/20 0.36
FYN P06241 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TTR P02766 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
BACE1 P56817 1/20 0.35
LTA4H P09960 1/20 0.34
TDO2 P48775 1/20 0.34
HTR1A P08908 1/20 0.33
GPR68 Q15743 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL16720513 0.82 HSD17B1 (0.42) PRKCIFYNACMSD
SCHEMBL16720012 0.81 PRKCI (0.51) PRKCIFYN
SCHEMBL16719322 0.81 TAAR1 (0.41) PRKCINOTUMFYN
SCHEMBL1371003 0.81 TP53 (0.43) NOTUM
SCHEMBL8129279 0.81 CALM1 (0.46) ACMSDLTA4HIDH1
SCHEMBL1370523 0.78 CNR1 (0.35) CNR2
SCHEMBL10449130 0.78 APP (0.46) TSHRNOTUMFYN
SCHEMBL1368971 0.75 HSD11B1 (0.46) TSHRCNR2
SCHEMBL1535844 0.74 ALDH1A1 (0.38) NOTUMACMSDBACE1
SCHEMBL8471292 0.74 ALOX5 (0.43) BACE1

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-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US claimed
US-20050182138-A1 Dipeptide inhibitors of beta-secretase ELAN PHARMACEUTICALS, INC. 2005-08-18 US claimed
US-6864240-B1 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2005-03-08 US claimed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 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-20050182138-A1 Dipeptide inhibitors of beta-secretase BACE1, APP, BACE2 TSHR 4697/4885PRKCI 1143/4885CFTR 4681/4885

“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.