SCHEMBL13623312

SCHEMBL13623312

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.40
PTGS2 P35354 1/20 0.39
NR1D1 P20393 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8770708 0.88 PTGDR2 (0.47) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4858330 0.85 PTGS2 (0.53) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL12838161 0.85 KMT2A (0.49) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8770253 0.85 S1PR4 (0.49) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6984076 0.85 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2947864 0.81 LMNA (0.45) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1025344 0.81 PTGDR2 (0.64) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1370592 0.79 PTGDR2 (0.49) PTGDR2MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL13623313 0.79 MAPK1 (0.40) PTGDR2MAPTALDH1A1LMNAKMT2A
SCHEMBL655716 0.78 PTGS2 (0.60) MAPTALDH1A1LMNAKMT2AMEN1

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK PTGDR2 3581/4885MAPT 3239/4885ALDH1A1 2511/4885

“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.