SCHEMBL6286400

SCHEMBL6286400

Cc1ccc(-c2ccc(O)cc2)n1CCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
PTGS1 P23219 2/20 0.45
SLC6A2 P23975 2/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 10/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6283320 0.92 HRH3 (0.47) HRH3PTGS1SLC6A2PGRADORA3
SCHEMBL6285956 0.87 FFAR1 (0.45) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6286469 0.85 FFAR1 (0.45) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6287841 0.84 LTA4H (0.46) HRH3PTGS1SLC6A2PGRADORA3
SCHEMBL6286785 0.83 NR5A1 (0.48) HRH3PTGS1SLC6A2PGRADORA3
SCHEMBL6278861 0.82 PGR (0.58) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6285205 0.82 LMNA (0.52) HRH3PTGS1SLC6A2LTA4HLMNA
SCHEMBL6279760 0.82 NR5A1 (0.50) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6284549 0.82 NR5A1 (0.50) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6278813 0.82 NR5A1 (0.50) PTGS1SLC6A2PGRADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM HRH3 1166/4885PTGS1 2849/4885SLC6A2 4691/4885

“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.