SCHEMBL13744802

SCHEMBL13744802

COc1cc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.56
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
ABCB1 P08183 3/20 0.50
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 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
SCHEMBL12507252 0.85 CYP3A4 (0.52) AKR1C2MAPTNPSR1MEN1POLB
SCHEMBL10693625 0.81 AR (0.64) MAPTNPSR1MEN1POLBKMT2A
SCHEMBL2008010 0.81 AR (0.64) MAPTNPSR1MEN1POLBKMT2A
SCHEMBL2008011 0.81 AR (0.64) MAPTNPSR1MEN1POLBKMT2A
SCHEMBL13744294 0.81 AKR1C2 (0.76) AKR1C2MEN1POLBKMT2AABCB1
SCHEMBL11224609 0.80 MAOB (0.59) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL11224613 0.80 MAOB (0.59) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL11224607 0.80 MAOB (0.59) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL13744494 0.80 AKR1C2 (0.57) AKR1C2MEN1POLBKMT2AABCB1
SCHEMBL14318111 0.80 AR (0.68) MAPTMEN1POLBKMT2AABCB1

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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST TLR4, TLR5, TLR1 AKR1C2 3281/4885MAPT 3117/4885NPSR1 1593/4885

“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.