SCHEMBL6425699

SCHEMBL6425699

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.37
AKR1C2 P52895 5/20 0.37
PSIP1 O75475 3/20 0.37
SRC P12931 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL6425777 0.94 AKR1C3 (0.36) AKR1C3AKR1C2PSIP1SRCLMNA
SCHEMBL6423408 0.94 AKR1C3 (0.40) AKR1C3AKR1C2SRCPPARGPPARA
SCHEMBL6424946 0.92 AKR1C3 (0.45) AKR1C3AKR1C2LMNAMAPTPPARG
SCHEMBL6424835 0.92 SRC (0.40) AKR1C3AKR1C2SRCMAPTHTT
SCHEMBL6423833 0.92 AKR1C3 (0.45) AKR1C3AKR1C2LMNAMAPTPPARG
SCHEMBL6423618 0.92 AKR1C3 (0.39) AKR1C3AKR1C2SRCLMNAMAPT
SCHEMBL6427009 0.91 AKR1C3 (0.35) AKR1C3AKR1C2SRCPPARGPPARA
SCHEMBL6426944 0.91 AKR1C3 (0.35) AKR1C3AKR1C2SRCPPARGPPARA
SCHEMBL6426675 0.90 SRC (0.43) AKR1C3AKR1C2SRCBCL2MDM2
SCHEMBL6424736 0.90 PSIP1 (0.36) PSIP1

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 563/4885PSIP1 2842/4885

“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.