SCHEMBL6426581

SCHEMBL6426581

Cc1c(C(C(=O)O)C2CCCC2)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PIK3CD O00329 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HSD11B1 P28845 1/20 0.36
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6423571 0.98 USP2 (0.39) TDP1KDM4EHTTEPHX2ALDH1A1
SCHEMBL6425599 0.91 L3MBTL1 (0.39) KDM4EALDH1A1KMT2AMEN1HSD11B1
SCHEMBL6424245 0.89 ALDH1A1 (0.37) KDM4EALDH1A1KMT2AMEN1HSD11B1
SCHEMBL6424129 0.88 TDP1 (0.40) TDP1KDM4EHTTEPHX2ALDH1A1
SCHEMBL6424476 0.88 KMT2A (0.36) KMT2AMEN1AKR1C3AKR1C2HSD11B1
SCHEMBL6424656 0.86 USP2 (0.38) TDP1KDM4EHTTEPHX2ALDH1A1
SCHEMBL6427330 0.86 HSD11B1 (0.37) ALDH1A1LMNAAKR1C3AKR1C2HSD11B1
SCHEMBL6424426 0.86 KMT2A (0.36) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL6423582 0.85 PDE2A (0.35) AKR1C3AKR1C2HSD11B1SLC6A3
SCHEMBL6422936 0.85 AKR1C3 (0.40) KDM4EEPHX2ALDH1A1KMT2AMEN1

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 TDP1 3450/4885KDM4E 2209/4885HTT 3263/4885

“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.