SCHEMBL23908217

SCHEMBL23908217

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 7/20 0.43
PGK2 P07205 7/20 0.43
FDPS P14324 2/20 0.34
HMGCR P04035 1/20 0.33
PTPN1 P18031 4/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
PTPN5 P54829 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3396255 0.92 GABRA1 (0.41) PGK1PGK2FDPSESR1ESR2
SCHEMBL3390400 0.87 PGK1 (0.52) PGK1PGK2PTPN1PTPN5
SCHEMBL7870277 0.86 PGK1 (0.44) PGK1PGK2FDPSPTPN1ESR1
SCHEMBL4609991 0.82 KDM4E (0.40) ALDH1A1GAATSHRKMT2A
SCHEMBL11762641 0.81 PTPN1 (0.52) PGK1PGK2PTPN1ESR1ESR2
SCHEMBL39365 0.81 LMNA (0.46) HMGCRMEN1ALDH1A1GAATSHR
SCHEMBL11763736 0.81 PGK1 (0.42) PGK1PGK2FDPSMEN1ALDH1A1
Hydrogen Peroxide SCHEMBL8609891 0.80 PTPN1 (0.52) PGK1PGK2FDPSPTPN1PTPN5
SCHEMBL5859053 0.80 PTPN5 (0.46) PGK1PGK2PTPN1ESR1ESR2
SCHEMBL1556937 0.80 PTPN1 (0.52) PGK1PGK2FDPSPTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 PGK1 2572/4885PGK2 2799/4885FDPS 3880/4885

“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.