SCHEMBL6424501

SCHEMBL6424501

CCCCC(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 1/20 0.34
PIK3CD O00329 1/20 0.33
KCNH2 Q12809 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6428306 1.00 AKR1C3 (0.38) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6423491 0.97 AKR1C3 (0.37) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6423954 0.94 AKR1C3 (0.39) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6422820 0.94 AKR1C3 (0.39) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6426965 0.91 ALDH1A1 (0.36) AKR1C3AKR1C2HPGDMEN1KMT2A
SCHEMBL6424880 0.91 ALDH1A1 (0.36) AKR1C3AKR1C2HPGDMEN1KMT2A
SCHEMBL6426717 0.91 AKR1C3 (0.40) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6426451 0.91 AKR1C3 (0.40) AKR1C3AKR1C2LMNASMN1; SMN2KDM4E
SCHEMBL6425332 0.88 ALDH1A1 (0.36) AKR1C3AKR1C2HPGDMEN1KMT2A
SCHEMBL6425670 0.88 LMNA (0.36) AKR1C3AKR1C2LMNASMN1; SMN2MAPT

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 563/4885LMNA 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.