SCHEMBL6426871

SCHEMBL6426871

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.39
PRKACA P17612 4/20 0.39
PRKACG P22612 4/20 0.39
PRKACB P22694 4/20 0.39
MAPT P10636 3/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 2/20 0.32
TSHR P16473 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
SCHEMBL6425689 0.98 SRC (0.39) SRCPRKACAPRKACGPRKACBMAPT
SCHEMBL6426909 0.92 KMT2A (0.35) SRCMAPTEPHX2LMNAALDH1A1
SCHEMBL6423904 0.92 AKR1C3 (0.37) SRCEPHX2ALDH1A1HPGDHSD11B1
SCHEMBL6425613 0.91 AKR1C3 (0.41) MGLLPTGS2AKR1C3AKR1C2
SCHEMBL6424892 0.90 LMNA (0.34) SRCMAPTEPHX2LMNAALDH1A1
SCHEMBL6426792 0.90 AKR1C3 (0.37) SRCEPHX2ALDH1A1HPGDHSD11B1
SCHEMBL6424919 0.90 MEN1 (0.37) HSD11B1KMT2AMGLLFAAH
SCHEMBL6424990 0.89 SRC (0.42) SRCPRKACAPRKACGPRKACBHPGD
SCHEMBL6425530 0.89 SRC (0.39) SRCPRKACAPRKACGPRKACBEPHX2
SCHEMBL6423179 0.89 AKR1C3 (0.41) MAPTLMNAKDM4EKMT2AMGLL

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 SRC 3467/4885PRKACA 1966/4885PRKACG 1457/4885

“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.