SCHEMBL6423618

SCHEMBL6423618

CCC(C(=O)O)c1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
SRC P12931 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BCL2 P10415 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.35
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL6426726 0.94 AKR1C3 (0.41) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6424304 0.92 AKR1C3 (0.46) AKR1C3AKR1C2LMNAMAPTPTGS2
SCHEMBL6425584 0.92 SRC (0.41) AKR1C3AKR1C2SRCMAPTHTT
SCHEMBL6425699 0.92 AKR1C3 (0.37) AKR1C3AKR1C2SRCLMNAMAPT
SCHEMBL6426520 0.92 AKR1C3 (0.46) AKR1C3AKR1C2LMNAMAPTPTGS2
SCHEMBL6425967 0.91 AKR1C3 (0.36) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6424935 0.91 AKR1C3 (0.36) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6424387 0.90 SRC (0.45) AKR1C3AKR1C2SRCBCL2MDM2
SCHEMBL6425777 0.90 AKR1C3 (0.36) AKR1C3AKR1C2SRCLMNAMAPT
SCHEMBL6424213 0.90 AKR1C3 (0.35) AKR1C3AKR1C2LMNA

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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885SRC 3467/4885

“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.