SCHEMBL726595

SCHEMBL726595

COCCOC(=O)c1cc(OCCOC)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.40
MAP3K5 Q99683 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GRM4 Q14833 1/20 0.39
MAOA P21397 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CHEK2 O96017 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL22589659 0.84 MAP3K5 (0.41) ALDH1A1MAP3K5SLC22A12GRM4MAOA
SCHEMBL10098352 0.84 KDM4E (0.47) ALDH1A1MAP3K5SLC22A12GRM4MAOA
SCHEMBL27028358 0.83 ALDH1A1 (0.47) RECQLTSHRALDH1A1MAPK1MAPT
SCHEMBL9561789 0.83 TSHR (0.47) TSHRALDH1A1MAPTKMT2ACA12
SCHEMBL15956090 0.82 TSHR (0.50) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL20202083 0.81 TSHR (0.45) RECQLTSHRALDH1A1RXFP1GRM4
SCHEMBL311880 0.76 CYP1A2 (0.50) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL2454478 0.76 ALPL (0.50) TSHRALDH1A1MAOAMAPT
SCHEMBL22605750 0.75 NPC1 (0.52) ALDH1A1MAPTL3MBTL1
SCHEMBL18132195 0.75 CCR1 (0.46) ALDH1A1GRM4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
WO-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 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 (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-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment PRKDC, PRKACA, PRKX RECQL 776/4885TSHR 3886/4885ALDH1A1 2878/4885

“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.