SCHEMBL3516747

SCHEMBL3516747

O=Cc1ccc(OP(=O)(Oc2ccc(C=O)cc2)Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP2A6 P11509 3/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
DRD1 P21728 1/20 0.48
ALDH1A3 P47895 1/20 0.48
STS P08842 1/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
SRC P12931 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TYR P14679 1/20 0.38

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
SCHEMBL28845216 0.92 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL16202966 0.90 ALDH1A1 (0.45) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL28443438 0.87 ALDH1A1 (0.47) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL6260382 0.82 ALDH1A1 (0.47) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL31416540 0.82 CA2 (0.57) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL3514847 0.82 SRC (0.61) ALDH1A1CYP2A6DRD1ALDH1A3STS
SCHEMBL13858750 0.82 ALDH1A1 (0.56) ALDH1A1CYP2A6CYP3A4TSHRDRD1
SCHEMBL21800987 0.82 ALDH1A1 (0.50) ALDH1A1CYP2A6DRD1ALDH1A3STS
SCHEMBL29153363 0.80 TDP1 (0.52) ALDH1A1CYP2A6DRD1ALDH1A3STS
SCHEMBL19949867 0.80 ALDH1A1 (0.40) ALDH1A1CYP2A6CYP3A4TSHRDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444258-A Preparation method and application of phosphorus-containing covalent porous material with flame retardant property 河北工业大学 2021-09-28 CN claimed
CN-117003792-A P-hydroxybenzaldehyde compound and method for preparing octreotide with assistance of p-hydroxybenzaldehyde compound 西北工业大学 2023-11-07 CN disclosed
CN-113444258-B Preparation method and application of phosphorus-containing covalent porous material with flame retardant property 河北工业大学(CN) 2023-01-13 CN disclosed
CN-113444258-A Preparation method and application of phosphorus-containing covalent porous material with flame retardant property 河北工业大学 2021-09-28 CN disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLO (US) 2014-10-30 US disclosed
WO-2013090861-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 WO disclosed
US-20100285601-A1 METHOD OF ELECTRICALLY DETECTING A NUCLEIC ACID MOLECULE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-11-11 US disclosed
US-20100194409-A1 METHOD OF ELECTRICALLY DETECTING A BIOLOGICAL ANALYTE MOLECULE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-05 US disclosed
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 US disclosed
WO-2009041917-A1 METHOD OF ELECTRICALLY DETECTING A NUCLEIC ACID MOLECULE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 WO disclosed
EP-2001886-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-12-17 EP disclosed
WO-2008020813-A1 METHOD OF ELECTRICALLY DETECTING A BIOLOGICAL ANALYTE MOLECULE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-02-21 WO disclosed
WO-2007103839-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 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-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 ALDH1A1 3301/4885CYP2A6 1884/4885CYP3A4 1228/4885
US-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF AAAS, AADAT, INMT ALDH1A1 257/4885CYP2A6 4509/4885CYP3A4 4192/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 ALDH1A1 3055/4885CYP2A6 2049/4885CYP3A4 1305/4885

“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.