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SCHEMBL4501235

SCHEMBL4501235

CCOC(=O)C1(NC(=O)Cc2c(C)cc(Cl)cc2C)CCCC(OC)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ P2RX7 Q99572 9/20 0.32
▸ SHMT1 P34896 1/20 0.32
▸ SHMT2 P34897 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31

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
SCHEMBL2525179 0.94 P2RX7 (0.32) MEN1KMT2APOLBP2RX7TUBB4A
SCHEMBL728292 0.87 MEN1 (0.32) MEN1KMT2APOLBPLAUPLAT
SCHEMBL12215016 0.85 P2RX7 (0.33) MEN1KMT2APOLBP2RX7SMN1; SMN2
SCHEMBL5430882 0.79 GRM1 (0.34) MEN1KMT2APOLBSLC6A4SLC6A3
SCHEMBL1153521 0.79 LPAR1 (0.36) MEN1KMT2APLAUPLATTUBB4A
SCHEMBL6290175 0.78 P2RX7 (0.35) MEN1KMT2APOLBP2RX7
SCHEMBL4501238 0.78 ALDH1A1 (0.35) MEN1KMT2APOLBSLC6A4SLC6A3
SCHEMBL2947752 0.77 EPHX2 (0.34) P2RX7
SCHEMBL3732990 0.77 P2RX7 (0.35) P2RX7
SCHEMBL12215020 0.77 OPRM1 (0.32) MEN1KMT2AP2RX7TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 — — US disclosed
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 — — US disclosed
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 — — US disclosed
EP-2246328-A1 3'-Alkoxy spirocyclic tetronic acid derivatives Bayer CropScience AG (DE) 2010-11-03 — — EP disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 — — US disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 — — US disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 — — 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 (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-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids DDT, MTX1, MTX2 MEN1 4315/4885KMT2A 3164/4885POLB 2819/4885

“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.