SCHEMBL1034487

SCHEMBL1034487

CC(C)OP(C)(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.44
CETP P11597 3/20 0.44
KDM4E B2RXH2 2/20 0.43
FOLH1 Q04609 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL389180 0.85 TSHR (0.63) TSHRALDH1A1CETPKDM4EFOLH1
SCHEMBL17357035 0.84 TSHR (0.53) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL27969393 0.84 TSHR (0.53) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11538617 0.81 TSHR (0.70) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4586560 0.81 TSHR (0.50) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4586530 0.81 TSHR (0.50) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8619121 0.79 TSHR (0.57) TSHRALDH1A1CETPKDM4EFOLH1
SCHEMBL7336647 0.78 TSHR (0.51) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4586535 0.78 TSHR (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL17034260 0.78 TSHR (0.55) TSHRMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101441-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE Human BioMolecular Research Foundation (US) 2017-04-13 US disclosed
US-9549991-B2 Chemical and biochemical adducts as biomarkers for organophosphate exposure HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-01-24 US disclosed
EP-2276510-B1 Chemical and biochemical adducts as biomarkers for organophosphate exposure HUMAN BIOMOLECULAR RES INST (US) 2016-07-06 EP disclosed
US-20110236931-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-09-29 US disclosed
EP-2276510-A2 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE Human Biomolecular Research Institute (US) 2011-01-26 EP disclosed
WO-2010039163-A2 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-04-08 WO 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 (2 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-20110236931-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE AOX1, PTMS, GSTA2 TSHR 4071/4885MEN1 4064/4885KMT2A 1744/4885
US-20170101441-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE PTMS, OGFRL1, AOX1 TSHR 1766/4885MEN1 4227/4885KMT2A 4003/4885

“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.