SCHEMBL6426368

SCHEMBL6426368

CCC(C(=O)O)c1c(C)n(C(=O)c2ccccc2)c2ccc(OC)c(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PLA2G2A P14555 1/20 0.39
PPARG P37231 6/20 0.39
PTGS2 P35354 7/20 0.38
PTGS1 P23219 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 2/20 0.37
AKR1C3 P42330 2/20 0.37

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
SCHEMBL6427500 0.93 PTGS2 (0.46) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6426770 0.91 AKR1C3 (0.43) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6424866 0.90 PTGS2 (0.41) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6426921 0.88 NPSR1 (0.38) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6426732 0.88 NPSR1 (0.41) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6425523 0.86 PTGS2 (0.41) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6425895 0.85 PTGS2 (0.45) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6423423 0.84 AKR1C3 (0.41) NPSR1PPARGPTGS2ABCB1AKR1C3
SCHEMBL6426542 0.83 NPSR1 (0.39) LMNANPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6425739 0.83 PTGS2 (0.44) LMNANPSR1CYP1A2CYP2D6CYP2C9

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 LMNA 3613/4885NPSR1 677/4885CYP1A2 56/4885

“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.