SCHEMBL2680099

SCHEMBL2680099

Cc1cc(P(=O)(O)O)c(C)cc1P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PGK1 P00558 5/20 0.41
PGK2 P07205 5/20 0.41
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.34
PTK2B Q14289 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
INPPL1 O15357 2/20 0.32
INPP5A Q14642 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
INPP5B P32019 1/20 0.32

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
SCHEMBL10977732 0.95 PGK1 (0.43) CYP1A2CYP2D6PGK1PGK2LMNA
SCHEMBL11408811 0.81 CYP2D6 (0.36) CYP1A2CYP2D6PGK1PGK2SRC
SCHEMBL18261837 0.79 PGK1 (0.39) CYP1A2CYP2D6PGK1PGK2LMNA
SCHEMBL3353304 0.78 LMNA (0.43) CYP1A2CYP2D6PGK1PGK2LMNA
SCHEMBL563887 0.78 CYP1A2 (0.51) CYP1A2CYP2D6LMNATSHRPTK2B
SCHEMBL30155025 0.78 CYP1A2 (0.51) CYP1A2CYP2D6LMNATSHRPTK2B
SCHEMBL27842194 0.76 ACHE (0.42) CYP1A2CYP2D6LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL10914729 0.76 CYP1A2 (0.50) CYP1A2CYP2D6LMNATSHRPTK2B
SCHEMBL1245128 0.74 CASP1 (0.48) CYP1A2CYP2D6LMNATSHRKDM4E
SCHEMBL14075606 0.74 INPPL1 (0.38) CYP1A2CYP2D6PTK2BKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114284490-B Stannous phosphate battery cathode material and preparation method and application thereof 齐鲁工业大学 2023-04-11 CN claimed
CN-111672527-B Molybdenum phosphide catalyst and preparation method thereof 齐鲁工业大学 2022-12-27 CN claimed
CN-114284490-A Stannous phosphate battery negative electrode material and preparation method and application thereof 齐鲁工业大学 2022-04-05 CN claimed
CN-111672527-A Molybdenum phosphide catalyst and preparation method thereof 齐鲁工业大学 2020-09-18 CN claimed
CN-114284490-B Stannous phosphate battery cathode material and preparation method and application thereof 齐鲁工业大学 2023-04-11 CN disclosed
CN-111672527-B Molybdenum phosphide catalyst and preparation method thereof 齐鲁工业大学 2022-12-27 CN disclosed
CN-114284490-A Stannous phosphate battery negative electrode material and preparation method and application thereof 齐鲁工业大学 2022-04-05 CN disclosed
CN-109267095-B Novel nickel phosphide catalyst and preparation method thereof 中国石油大学(华东) 2021-01-08 CN disclosed
CN-111672527-A Molybdenum phosphide catalyst and preparation method thereof 齐鲁工业大学 2020-09-18 CN disclosed
US-8993117-B2 Devices with multiple surface functionality THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-31 US disclosed
US-20120121661-A1 DEVICES WITH MULTIPLE SURFACE FUNCTIONALITY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-05-17 US disclosed
US-20120114935-A1 DEVICES WITH MULTIPLE SURFACE FUNCTIONALITY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-05-10 US disclosed
US-20060194008-A1 Devices with multiple surface functionality PRINCETON UNIVERSITY (US) 2006-08-31 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-20120121661-A1 DEVICES WITH MULTIPLE SURFACE FUNCTIONALITY PHOSPHO1, CD44, SELP CYP1A2 3202/4885CYP2D6 1273/4885PGK1 1384/4885

“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.