SCHEMBL1655838

SCHEMBL1655838

O=C(O)CC(=Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B3 P37058 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SLC6A19 Q695T7 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL1655835 1.00 RECQL (0.50) RECQLTSHRCYP2C19HSD17B3AKR1C3
SCHEMBL12499785 0.84 AKR1C3 (0.50) CYP2C19HSD17B3AKR1C3AKR1C2ALDH1A1
SCHEMBL12499782 0.84 AKR1C3 (0.50) CYP2C19HSD17B3AKR1C3AKR1C2ALDH1A1
SCHEMBL13005289 0.82 MAPT (0.49) RECQLALDH1A1SLC6A19MAPTNPSR1
SCHEMBL11324744 0.81 AKR1C3 (0.48) CYP2C19HSD17B3AKR1C3AKR1C2ALDH1A1
SCHEMBL11324746 0.81 AKR1C3 (0.48) CYP2C19HSD17B3AKR1C3AKR1C2ALDH1A1
SCHEMBL2224096 0.81 RECQL (0.72) RECQLTSHRCYP2C19AKR1C3ALDH1A1
SCHEMBL27158696 0.81 RECQL (0.72) RECQLTSHRCYP2C19AKR1C3ALDH1A1
SCHEMBL5032754 0.81 RECQL (0.72) RECQLTSHRCYP2C19AKR1C3ALDH1A1
SCHEMBL166780 0.81 RECQL (0.72) RECQLTSHRCYP2C19AKR1C3ALDH1A1

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-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 — — US disclosed
WO-2011039735-A2 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-04-07 — — WO 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-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF DDX3X, DDX21, DDX39B RECQL 217/4885TSHR 3990/4885CYP2C19 2731/4885

“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.

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