SCHEMBL1651817

SCHEMBL1651817

COCCc1cc(CCOC)cc(CP(=O)(O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.59
PGK2 P07205 5/20 0.59
PTPRB P23467 2/20 0.44
ENPP2 Q13822 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL8824567 0.80 PGK1 (0.76) PGK1PGK2PTPRBACP3
SCHEMBL19794310 0.80 ENPP2 (0.36) ENPP2HCAR2
SCHEMBL27718055 0.76 ENPP2 (0.62) PGK1PGK2PTPRBENPP2
SCHEMBL915312 0.76 PGK1 (0.48) PGK1PGK2PTPRBENPP2THRA
SCHEMBL5798610 0.73 PGK1 (0.55) PGK1PGK2PTPRBTHRATHRB
SCHEMBL27553338 0.72 HCAR2 (0.45) HCAR2
SCHEMBL26544979 0.72 PGK1 (0.64) PGK1PGK2PTPRBTHRATHRB
SCHEMBL5660361 0.71 PGK1 (0.52) PGK1PGK2PTPRB
SCHEMBL8199992 0.71 PTGS2 (0.53) PGK1PGK2PTPRB
SCHEMBL22973707 0.70 PGK1 (0.61) PGK1PGK2PTPRBACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550095-B2 Cancerous cell growth inhibiting compounds WISYS TECHNOLOGY FOUNDATION, INC. (US) 2020-02-04 US disclosed
US-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds WISYS TECHNOLOGY FOUNDATION, INC. 2017-11-30 US disclosed
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 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 (3 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-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds TYR, MKI67, MC1R PGK1 545/4885PGK2 673/4885PTPRB 1536/4885
US-10550095-B2 Cancerous cell growth inhibiting compounds TYR, MKI67, MC1R PGK1 545/4885PGK2 673/4885PTPRB 1536/4885
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species ABCC1, H1-3, H1-2 PGK1 3026/4885PGK2 3313/4885PTPRB 3830/4885

“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.