SCHEMBL6426909

SCHEMBL6426909

Cc1ccc(C(=O)n2c(C)c(C(C(=O)O)C3CCCC3)c3cc(O)c(F)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SRC P12931 1/20 0.34
HTT P42858 1/20 0.34
HSD11B1 P28845 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
BCL2 P10415 1/20 0.34
MDM2 Q00987 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
GAA P10253 1/20 0.34
MGLL Q99685 2/20 0.33
MEN1 O00255 1/20 0.33
PTGS2 P35354 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL6424892 0.98 LMNA (0.34) KMT2AEPHX2LMNAMAPTSRC
SCHEMBL6423904 0.94 AKR1C3 (0.37) KMT2AEPHX2SRCHSD11B1AKR1C3
SCHEMBL6426871 0.92 SRC (0.39) KMT2AEPHX2LMNAMAPTSRC
SCHEMBL6425613 0.92 AKR1C3 (0.41) AKR1C3AKR1C2MGLLPTGS2
SCHEMBL6426792 0.92 AKR1C3 (0.37) KMT2AEPHX2SRCHSD11B1AKR1C3
SCHEMBL6424919 0.91 MEN1 (0.37) KMT2AHSD11B1MGLLMEN1FAAH
SCHEMBL6424990 0.91 SRC (0.42) KMT2ASRCHSD11B1AKR1C3AKR1C2
SCHEMBL6423179 0.90 AKR1C3 (0.41) KMT2ALMNAMAPTAKR1C3AKR1C2
SCHEMBL6425689 0.90 SRC (0.39) KMT2AEPHX2LMNAMAPTSRC
SCHEMBL5558666 0.90 KMT2A (0.33) KMT2AEPHX2LMNAMAPTHTT

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 KMT2A 1519/4885EPHX2 40/4885LMNA 3613/4885

“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.