SCHEMBL2543855

SCHEMBL2543855

Cc1ccc(-c2ccc(Cl)cc2)c(C)c1CC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
SUCNR1 Q9BXA5 2/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.36
SLC6A4 P31645 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
SCHEMBL14616506 0.88 PTGDR2 (0.38) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12479163 0.88 CA12 (0.47) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14089367 0.84 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2ASLC1A3
SCHEMBL14089363 0.81 KMT2A (0.36) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14089360 0.77 PTGDR2 (0.38) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7674203 0.76 ALDH1A1 (0.41) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL812155 0.76 SHMT1 (0.39) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12245351 0.74 USP7 (0.37) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7102760 0.73 SUCNR1 (0.43) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL861566 0.72 PTGS1 (0.51) PTGDR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859466-B2 Oxaspirocyclic spiro-substituted tetramic acid and tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20110263424-A1 Oxaspirocyclic Spiro-Substituted Tetramic Acid and Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-10-27 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-20110263424-A1 Oxaspirocyclic Spiro-Substituted Tetramic Acid and Tetronic Acid Derivatives TBCA, POF1B, DDT PTGDR2 2181/4885ALDH1A1 1939/4885KDM4E 3681/4885

“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.