SCHEMBL1900181

SCHEMBL1900181

O=C(O)c1cccc(Sc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.58
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NSD2 O96028 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.41

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
SCHEMBL24723588 0.88 ALDH1A1 (0.56) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL27780108 0.86 SIRT1 (0.54) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL231042 0.84 SIRT1 (0.71) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL29435080 0.81 SIRT1 (0.58) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL6937301 0.81 ALDH1A1 (0.55) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL942508 0.81 SIRT1 (0.58) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL23372785 0.80 ALDH1A1 (0.57) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL19847390 0.80 ALDH1A1 (0.52) SIRT1POLBALDH1A1MAPTMEN1
SCHEMBL9557894 0.80 MAPT (0.50) SIRT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9622183 0.79 ALDH1A1 (0.51) SIRT1POLBALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 EP disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 US disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA SIRT1 4138/4885POLB 3707/4885ALDH1A1 3355/4885

“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.