SCHEMBL6074844

SCHEMBL6074844

CC(C)Cc1ccc(C(O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX5 P09917 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL9340078 0.90 PTGS1 (0.59) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL764989 0.85 SLC6A2 (0.67) SLC6A2SLC6A3PTGS1PTGS2LMNA
SCHEMBL8123372 0.82 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14540062 0.82 PTGS1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14528263 0.82 PTGS1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6075401 0.81 SLC6A2 (0.52) SLC6A2SLC6A3PTGS1PTGS2LMNA
SCHEMBL8229348 0.79 SLC6A2 (0.59) SLC6A2SLC6A3PTGS1PTGS2LMNA
SCHEMBL1426754 0.78 TSHR (0.50) LMNATSHR
SCHEMBL5099590 0.77 SLC6A4 (0.54) SLC6A2SLC6A3NFKB1TSHRBLM
SCHEMBL4158699 0.77 SLC6A2 (0.61) SLC6A2SLC6A3LMNASLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 SLC6A2 1533/4885SLC6A3 1045/4885PTGS1 277/4885

“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.