SCHEMBL10001178

SCHEMBL10001178

CC(C)(C)C(=O)c1cncc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
HCAR2 Q8TDS4 1/20 0.60
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 5/20 0.53
HTT P42858 4/20 0.53
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 4/20 0.49
GAA P10253 2/20 0.46
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
ROCK1 Q13464 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL12444052 0.86 HCAR2 (0.43) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL24198782 0.84 POLB (0.55) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL16600044 0.81 POLB (0.60) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL24198771 0.80 POLB (0.50) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL8237840 0.78 HCAR2 (0.62) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL578591 0.78 POLB (0.67) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL431067 0.78 POLB (0.67) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL31137907 0.78 POLB (0.67) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL29419336 0.78 POLB (0.67) POLBHCAR2KDM4ERAB9AHTT
SCHEMBL22569116 0.77 HTT (0.78) POLBHCAR2KDM4ERAB9AHTT

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 POLB 3051/4885HCAR2 1608/4885KDM4E 3371/4885

“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.