SCHEMBL5545944

SCHEMBL5545944

O=C1OCC(c2ccc(O)cc2)=C1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.79
PTGS1 P23219 5/20 0.70
PTGS2 P35354 10/20 0.68
ALDH1A1 P00352 2/20 0.62
ABCB11 O95342 1/20 0.62
MT-CO2 P00403 1/20 0.62
HTR1A P08908 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MC4R P32245 1/20 0.62
GSK3B P49841 1/20 0.55
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5549767 1.00 KMT2A (0.79) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL31349181 0.94 PTGS2 (0.73) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL5071823 0.89 KMT2A (1.00) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL28940679 0.86 PTGS2 (0.64) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL1557809 0.85 PTGS2 (0.62) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL25409790 0.84 KMT2A (0.81) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL1557659 0.82 PTGS1 (0.74) KMT2APTGS1PTGS2ALDH1A1MEN1
SCHEMBL6508487 0.82 KMT2A (0.79) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL13743029 0.82 KMT2A (0.79) KMT2APTGS1PTGS2ALDH1A1ABCB11
SCHEMBL6509069 0.82 PTGS1 (1.00) KMT2APTGS1PTGS2ALDH1A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US claimed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO claimed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 KMT2A 1711/4885PTGS1 7/4885PTGS2 1/4885

“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.