SCHEMBL2997515

SCHEMBL2997515

C=Cc1ccc2ccccc2c1.C=Cc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.58
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTGS1 P23219 1/20 0.50
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
NQO2 P16083 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 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
SCHEMBL110160 1.00 RELA (0.58) RELAALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL29357489 1.00 RELA (0.58) RELAALDH1A1KDM4EL3MBTL1PTGS1
Anthracene SCHEMBL28663344 0.98 RELA (0.56) RELAALDH1A1KDM4EL3MBTL1PTGS1
Hydrochloric Acid SCHEMBL5493921 0.98 RELA (0.56) RELAALDH1A1KDM4EL3MBTL1PTGS1
Butadiene SCHEMBL23403790 0.95 RELA (0.54) RELAALDH1A1KDM4EL3MBTL1PTGS1
Styrene SCHEMBL3214387 0.93 RELA (0.63) RELAALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1167373 0.93 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL2701546 0.93 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1264213 0.93 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL30464086 0.93 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1PTGS1

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-20100172861-A1 Anionic Polymers as Toxin Binders and Antibacterial Agents GENZYME CORPORATION (US) 2010-07-08 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-20100172861-A1 Anionic Polymers as Toxin Binders and Antibacterial Agents MSN, ANTXR2, PNKP RELA 3033/4885ALDH1A1 4470/4885KDM4E 3641/4885

“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.