SCHEMBL309556

SCHEMBL309556

CCS(=O)(=O)c1cc(Br)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
PSIP1 O75475 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
MMP1 P03956 1/20 0.34
MEP1B Q16820 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL310459 0.88 LMNA (0.43) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL24156677 0.81 SMN1; SMN2 (0.39) LMNAPOLBALDH1A1MAPTPKM
SCHEMBL30253355 0.81 SMN1; SMN2 (0.39) LMNAPOLBALDH1A1MAPTPKM
SCHEMBL13584602 0.79 MAPT (0.38) LMNAPOLBALDH1A1MAPTPKM
SCHEMBL31314383 0.79 MAPT (0.38) LMNAPOLBALDH1A1MAPTPKM
SCHEMBL12325146 0.79 HTR6 (0.47) LMNAALDH1A1PSIP1PKMSMN1; SMN2
SCHEMBL24270012 0.76 L3MBTL1 (0.44) LMNAPOLBALDH1A1SMN1; SMN2MMP8
SCHEMBL309573 0.73 ALDH1A1 (0.39) LMNAPOLBALDH1A1PSIP1MEN1
SCHEMBL12325099 0.73 PTGS1 (0.45) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL309832 0.72 ALDH1A1 (0.59) LMNAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S LMNA 1300/4885POLB 1658/4885ALDH1A1 685/4885

“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.