SCHEMBL3390400

SCHEMBL3390400

CCC(CC)(c1cccc(C(CC)(CC)P(=O)(O)O)c1)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.52
PGK2 P07205 5/20 0.52
PTPN5 P54829 8/20 0.41
PTPN1 P18031 3/20 0.41
ACP3 P15309 1/20 0.40
PTPRC P08575 1/20 0.39
ACHE P22303 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 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
SCHEMBL29024551 0.91 PGK1 (0.53) PGK1PGK2PTPN5PTPN1ACP3
SCHEMBL2031911 0.88 TSHR (0.43) PGK1PGK2PTPN5PTPN1
SCHEMBL27887459 0.88 PGK1 (0.41) PGK1PGK2PTPN5PTPN1ACP3
SCHEMBL1362338 0.88 MEN1 (0.41) PGK1PGK2PTPN5PTPN1
SCHEMBL1338013 0.88 PGK1 (0.44) PGK1PGK2PTPN5ACP3
SCHEMBL23908217 0.87 PGK1 (0.43) PGK1PGK2PTPN5PTPN1
SCHEMBL1556937 0.86 PTPN1 (0.52) PGK1PGK2PTPN5PTPN1
Hydrogen Peroxide SCHEMBL8609891 0.86 PTPN1 (0.52) PGK1PGK2PTPN5PTPN1
SCHEMBL4538998 0.85 CES2 (0.41) PGK1PGK2PTPN5ACHE
SCHEMBL9445936 0.85 PGK1 (0.45) PGK1PGK2PTPN5PTPN1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 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 (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-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT PSEN1, APP, BACE1 PGK1 2141/4885PGK2 3713/4885PTPN5 3268/4885

“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.