SCHEMBL20128353

SCHEMBL20128353

CCc1ccc[n+]([O-])c1S

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MGLL Q99685 1/20 0.35
TP53 P04637 2/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL20128357 0.86 DAO (0.32) GABRA1GABRB2
SCHEMBL711814 0.78 GABRA1 (0.38) GABRA1GABRB2MGLLTP53SLC2A1
SCHEMBL28042079 0.74 MEN1 (0.40) GABRA1GABRB2TP53SLC2A1KDM4E
SCHEMBL20497340 0.74 KDM4E (0.39) GABRA1GABRB2MGLLKDM4ETDP1
SCHEMBL7063569 0.73
SCHEMBL20128368 0.72
SCHEMBL10703200 0.72 ALDH1A1 (0.41) KDM4ETDP1LMNAALDH1A1
SCHEMBL31586785 0.70 ALDH1A1 (0.38) GABRA1GABRB2KDM4ETDP1LMNA
SCHEMBL9522211 0.70 CA1 (0.44) MGLLTP53KDM4ETDP1LMNA
SCHEMBL7357216 0.69 ALDH1A1 (0.32) GABRA1GABRB2ALDH1A1

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-20180127597-A1 MOLD RESISTANT FORMABLE CORK THE BOEING COMPANY (US) 2018-05-10 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-20180127597-A1 MOLD RESISTANT FORMABLE CORK HEATR1, GRHPR, CBR3 GABRA1 3252/4885GABRB2 3612/4885MGLL 3578/4885

“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.