SCHEMBL13078221

SCHEMBL13078221

C=C1C(=O)C(C)(C)C(=O)C(c2ccc(Br)cc2CC)=C1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
METAP1 P53582 1/20 0.31
TDP2 O95551 1/20 0.31
S100A4 P26447 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30

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
SCHEMBL13077976 0.80 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL13078220 0.79 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL13078103 0.79 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL13077980 0.78 CA1 (0.34) CA1CA2CA4CA7CA9
SCHEMBL12101877 0.78 CA1 (0.38) CA1CA2CA4CA7CA9
SCHEMBL12131530 0.73 PTGS2 (0.34) SMN1; SMN2LMNAHPGDTSHRALDH1A1
SCHEMBL12131291 0.72 ABL1 (0.33) LMNAALDH1A1
SCHEMBL12131511 0.72 HTR6 (0.31)
SCHEMBL10192820 0.71 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL13042218 0.71 CA1 (0.37) CA1CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 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-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 CA1 1346/4885CA2 925/4885CA4 404/4885

“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.