SCHEMBL6426438

SCHEMBL6426438

Cc1c(C(C)(C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ELANE P08246 2/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL6424965 0.90 SRC (0.37) SRCRORCALDH1A1L3MBTL1AKR1C3
SCHEMBL6426914 0.90 AKR1C3 (0.42) SRCRORCALDH1A1AKR1C3AKR1C2
SCHEMBL6426526 0.89 AKR1C3 (0.46) SRCAKR1C3AKR1C2KDM4EMAPT
SCHEMBL6424899 0.88 SRC (0.36) SRCRORCALDH1A1L3MBTL1AKR1C3
SCHEMBL6424929 0.88 ELANE (0.37) SRCRORCALDH1A1L3MBTL1AKR1C3
SCHEMBL6426427 0.88 ELANE (0.37) SRCRORCALDH1A1L3MBTL1AKR1C3
SCHEMBL6425968 0.87 MEN1 (0.36) SRCRORCAKR1C3AKR1C2HSD11B1
SCHEMBL6454523 0.87 RORC (0.40) SRCRORCAKR1C3AKR1C2PTGS1
SCHEMBL6427562 0.87 RORC (0.38) SRCRORCAKR1C3AKR1C2SMN1; SMN2
SCHEMBL6424197 0.86 ELANE (0.36) SRCRORCALDH1A1L3MBTL1AKR1C3

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 3467/4885RORC 3642/4885ALDH1A1 630/4885

“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.