SCHEMBL2541603

SCHEMBL2541603

O=P(O)(O)Oc1ccc(O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.50
INPP5A Q14642 4/20 0.50
IDO1 P14902 3/20 0.50
AKT1 P31749 1/20 0.50
INPP5B P32019 2/20 0.47
SRC P12931 2/20 0.46
USP2 O75604 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PDE3A Q14432 1/20 0.46
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9274496 0.90 TSHR (0.44) INPPL1INPP5AIDO1AKT1INPP5B
SCHEMBL8384662 0.89 INPPL1 (0.57) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL2549908 0.86 IDO1 (0.52) IDO1USP2HSD17B10GAAMEN1
Benzene SCHEMBL28642827 0.81 IDO1 (0.46) IDO1USP2HSD17B10ALDH1A1GAA
SCHEMBL8386747 0.81 INPPL1 (0.68) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL10438501 0.81 PLK1 (0.53) INPPL1INPP5AIDO1AKT1INPP5B
SCHEMBL2547022 0.79 IDO1 (0.53) INPPL1INPP5AIDO1AKT1INPP5B
1-Naphthol SCHEMBL6247417 0.79 CYP1A2 (0.57) INPPL1INPP5AINPP5BSRCUSP2
SCHEMBL21585533 0.78 INPPL1 (0.47) INPPL1INPP5AIDO1AKT1INPP5B
SCHEMBL8384544 0.77 SRC (0.64) INPPL1INPP5AIDO1AKT1INPP5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 CN claimed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 WO claimed
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 CN disclosed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 WO disclosed
US-10155973-B2 Methods for detecting organisms and enzymatic reactions using raman spectroscopy and aromatic compounds comprising phosphate SWORD DIAGNOSTICS, INC. (US) 2018-12-18 US disclosed
US-20150218615-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2015-08-06 US disclosed
EP-2553117-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE Sword Diagnostics, Inc. (US) 2013-02-06 EP disclosed
WO-2011123386-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE KUNDU SAMAR KUMAR (US) 2011-10-06 WO disclosed
US-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. 2010-02-18 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-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE PNP, ARSA, PGLS INPPL1 208/4885INPP5A 187/4885IDO1 1969/4885

“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.