SCHEMBL6426640

SCHEMBL6426640

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G2A P14555 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 2/20 0.35
PPARG P37231 5/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6426916 0.93 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C2PPARG
SCHEMBL6426921 0.89 NPSR1 (0.38) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6426732 0.88 NPSR1 (0.41) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6424314 0.87 LMNA (0.40) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6424698 0.84 AKR1C3 (0.41) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL6423554 0.83 AKR1C3 (0.43) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6424196 0.83 PTGS1 (0.41) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6423937 0.81 AKR1C3 (0.45) AKR1C3AKR1C2PPARGPTGIRPTGS2
SCHEMBL6424056 0.80 LMNA (0.39) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL6423889 0.78 PTGS2 (0.52) LMNACYP1A2CYP2D6CYP2C9TSHR

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 3613/4885CYP1A2 56/4885CYP2D6 143/4885

“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.