SCHEMBL6285956

SCHEMBL6285956

Cc1ccc(-c2ccc(O)cc2)n1CCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
PTGS1 P23219 2/20 0.44
SLC6A2 P23975 2/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 0.43
ESR1 P03372 2/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6286469 0.96 FFAR1 (0.45) FFAR1PTGS1SLC6A2PGRADORA3
SCHEMBL6286398 0.92 LTA4H (0.48) FFAR1PTGS1SLC6A2PGRADORA3
SCHEMBL6285205 0.91 LMNA (0.52) FFAR1PTGS1SLC6A2LTA4HEPHX2
SCHEMBL6283221 0.88 LTA4H (0.46) FFAR1LTA4HEPHX2
SCHEMBL6286400 0.87 HRH3 (0.46) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6279210 0.86 NR5A1 (0.55) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6284352 0.86 NR5A1 (0.55) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6283193 0.86 NR5A1 (0.55) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6286592 0.86 NR5A1 (0.55) PTGS1SLC6A2PGRADORA3CHRM1
SCHEMBL6284126 0.86 NR5A1 (0.55) 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 FFAR1 2437/4885PTGS1 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.