SCHEMBL5639747

SCHEMBL5639747

Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.37
BCAT2 O15382 1/20 0.37
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
TSHR P16473 1/20 0.35
HAAO P46952 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL8138242 0.85 ALDH1A1 (0.42) ALOX15ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL30595097 0.85 ALDH1A1 (0.42) ALOX15ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5638807 0.84 L3MBTL1 (0.38) ALDH1A1LMNAL3MBTL1BCAT2
SCHEMBL1495431 0.83 ALDH1A1 (0.41) ALOX15ALDH1A1LMNAMAPK1CYP1A2
SCHEMBL1358700 0.81 ALDH1A1 (0.40) ALOX15ALDH1A1LMNAMAPK1CYP1A2
SCHEMBL27316603 0.81 ALDH1A1 (0.40) ALOX15ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL1495458 0.80 LMNA (0.53) ALOX15ALDH1A1LMNAMAPK1CYP1A2
SCHEMBL1780016 0.80 L3MBTL1 (0.42) ALOX15ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL7939680 0.80 ALDH1A1 (0.39) ALOX15ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL3764955 0.80 LMNA (0.45) ALOX15ALDH1A1LMNAMAPK1CYP1A2

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-7196229-B2 Benzoylcyclohexenone derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20040235793-A1 Benzoylcyclohexenone derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 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-20040235793-A1 Benzoylcyclohexenone derivatives CYC1, CYP1B1, CYP1A1 ALOX15 2862/4885ALDH1A1 389/4885LMNA 939/4885

“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.