SCHEMBL12628642

SCHEMBL12628642

COC(=O)Cc1c(C)n(C(=O)/C=C/c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.62
CNR2 P34972 3/20 0.62
CNR1 P21554 2/20 0.62
AKR1C2 P52895 5/20 0.60
PTGS2 P35354 7/20 0.58
HIF1A Q16665 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
PLA2G2A P14555 2/20 0.55
PTGS1 P23219 3/20 0.49
GLO1 Q04760 2/20 0.49
HTR1A P08908 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL13849829 0.93 PTGS2 (0.61) AKR1C3CNR2CNR1AKR1C2PTGS2
Cinmetacin SCHEMBL25139 0.92 LMNA (0.68) AKR1C3CNR2CNR1AKR1C2PTGS2
Cinmetacin SCHEMBL29974302 0.92 LMNA (0.68) AKR1C3CNR2CNR1AKR1C2PTGS2
Cinmetacin SCHEMBL25138 0.92 LMNA (0.68) AKR1C3CNR2CNR1AKR1C2PTGS2
Cinmetacin SCHEMBL8636226 0.91 LMNA (0.67) AKR1C3CNR2CNR1AKR1C2PTGS2
SCHEMBL12609001 0.91 LMNA (0.58) AKR1C3CNR2CNR1AKR1C2PTGS2
Cinmetacin SCHEMBL8636225 0.91 LMNA (0.67) AKR1C3CNR2CNR1AKR1C2PTGS2
SCHEMBL3459041 0.90 PLA2G2A (0.69) AKR1C3AKR1C2PTGS2HIF1ALMNA
SCHEMBL12255244 0.89 PTGS2 (0.52) AKR1C3CNR2CNR1AKR1C2PTGS2
SCHEMBL9815439 0.88 LMNA (0.53) AKR1C3CNR2CNR1AKR1C2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1C3 970/4885CNR2 28/4885CNR1 50/4885

“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.