SCHEMBL3396255

SCHEMBL3396255

CCC(CC)(c1cc(O)cc(C(CC)(CC)P(=O)(O)O)c1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
PGK1 P00558 4/20 0.38
PGK2 P07205 4/20 0.38
ESR1 P03372 6/20 0.33
ESR2 Q92731 5/20 0.33
PTPN5 P54829 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.31
PTGS1 P23219 1/20 0.31
DRD3 P35462 1/20 0.31
AR P10275 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL23908217 0.92 PGK1 (0.43) PGK1PGK2ESR1ESR2PTPN5
SCHEMBL3390400 0.80 PGK1 (0.52) GABRA1GABRB2PGK1PGK2PTPN5
SCHEMBL7870277 0.79 PGK1 (0.44) PGK1PGK2ESR1ESR2PTPN5
SCHEMBL39365 0.78 LMNA (0.46) MEN1KMT2ACYP3A4
SCHEMBL3803728 0.77 LMNA (0.35) PGK1PGK2ESR1ESR2PTPN5
SCHEMBL4609991 0.76 KDM4E (0.40) KMT2AKDM4E
SCHEMBL11762641 0.74 PTPN1 (0.52) PGK1PGK2ESR1ESR2AR
SCHEMBL11763736 0.74 PGK1 (0.42) PGK1PGK2MEN1KMT2AFDPS
SCHEMBL5859053 0.73 PTPN5 (0.46) PGK1PGK2ESR1ESR2PTPN5
SCHEMBL1556937 0.73 PTPN1 (0.52) PGK1PGK2PTPN5MEN1KMT2A

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 GABRA1 141/4885GABRB2 283/4885PGK1 2141/4885

“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.