SCHEMBL12554591

SCHEMBL12554591

COC(=O)c1ccc(OP)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
KMT2A Q03164 5/20 0.62
CYP2C9 P11712 3/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
TPMT P51580 1/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
Veratric Acid Methyl Ester SCHEMBL2050732 0.89 MAPT (0.86) MAPTKMT2ACYP2C9TSHRCYP1A2
Veratric Acid Methyl Ester SCHEMBL29573244 0.89 MAPT (0.86) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL12554574 0.84 TSHR (0.58) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL12554584 0.84 CA12 (0.79) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL12554585 0.82 TSHR (0.56) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL23480903 0.82 MAPT (0.70) MAPTKMT2ACYP2C9TSHRCYP1A2
Veratric Acid Methyl Ester SCHEMBL22717084 0.82 MAPT (0.75) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL12538400 0.81 TSHR (0.66) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL18456830 0.81 MAPT (0.64) MAPTKMT2ACYP2C9TSHRCYP1A2
SCHEMBL14430174 0.81 MAPT (0.68) MAPTKMT2ACYP2C9TSHRCYP1A2

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-9012435-B2 Glucocorticoids attached to nitrate esters via an aromatic linker in position 21 and their use in ophthalmology NICOX S.A. (FR) 2015-04-21 US disclosed
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. (FR) 2013-11-14 US disclosed
US-8518920-B2 Glucocorticoids attached to nitrate esters via an aromatic linker in position 21 and their use in ophthalmology NICOX S.A. (FR) 2013-08-27 US disclosed
US-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. 2011-06-16 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 (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-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 MAPT 1359/4885KMT2A 4602/4885CYP2C9 2557/4885
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 MAPT 1359/4885KMT2A 4602/4885CYP2C9 2557/4885

“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.