SCHEMBL10014879

SCHEMBL10014879

O=COc1cc(CO)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
PTGS2 P35354 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
P2RX7 Q99572 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL11921504 0.85 LMNA (0.42) KDM4CMAPTLMNAPOLBGAA
SCHEMBL27795106 0.83 LMNA (0.49) KDM4CMAPTLMNAGAAKMT2A
SCHEMBL12713151 0.81 ALDH1A1 (0.38) CA9CA1CA2PTGS2KDM4C
SCHEMBL27816073 0.77 MAPK1 (0.51) KDM4CMAPTLMNAPOLBGAA
SCHEMBL27816078 0.76 ALDH1A1 (0.49) MAPTLMNAGAAKMT2AL3MBTL1
SCHEMBL27816070 0.75 GAA (0.54) KDM4CMAPTLMNAGAAKMT2A
SCHEMBL2841874 0.72 GAA (0.49) CA9CA1CA2PTGS2KDM4C
SCHEMBL13861488 0.71 CYP1A2 (0.56) CA9CA1CA2PTGS2P2RX7
SCHEMBL16804455 0.71 MAPT (0.63) CA9CA1CA2PTGS2P2RX7
SCHEMBL17361370 0.71 PTGS2 (0.49) CA9CA1CA2PTGS2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029577-B2 Method for producing methylene-1,3-dioxolanes BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-12 US disclosed
US-20140378690-A1 METHOD FOR PRODUCING METHYLENE-1,3-DIOXOLANES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-25 US disclosed
US-20130018192-A1 Aryl-substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 US disclosed
US-8299260-B2 Process for preparing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-8222435-B2 Dioxolane and dioxane derivatives and a process for their preparation BAYER CROPSCIENCE AG (DE) 2012-07-17 US disclosed
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2011-02-03 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 (5 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-20130018192-A1 Aryl-substituted Pyrazoles WNK3, AHR, TYR CA9 4733/4885CA1 4624/4885CA2 4763/4885
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof AKR7A2, CYP51A1, PDK3 CA9 4062/4885CA1 3620/4885CA2 3289/4885
US-20140378690-A1 METHOD FOR PRODUCING METHYLENE-1,3-DIOXOLANES CYP4X1, CYP1A1, DDT CA9 2461/4885CA1 999/4885CA2 3144/4885
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles WNK3, WNK2, TYR CA9 4674/4885CA1 4661/4885CA2 4813/4885
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation ACOX1, CYP4X1, ANTXR2 CA9 2629/4885CA1 1523/4885CA2 2207/4885

“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.