SCHEMBL6287841

SCHEMBL6287841

CCCCc1ccc(OCCCn2c(C)ccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
NR5A1 Q13285 1/20 0.46
ADORA3 P0DMS8 3/20 0.45
SLC6A2 P23975 3/20 0.45
CHRM1 P11229 2/20 0.45
PTGS1 P23219 2/20 0.45
PGR P06401 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
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6286785 0.97 NR5A1 (0.48) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6284549 0.95 NR5A1 (0.50) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6278813 0.95 NR5A1 (0.50) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6279760 0.95 NR5A1 (0.50) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6279339 0.95 NR5A1 (0.50) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6282175 0.90 NR5A1 (0.55) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6286592 0.90 NR5A1 (0.55) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6284352 0.90 NR5A1 (0.55) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6279210 0.90 NR5A1 (0.55) LTA4HNR5A1ADORA3SLC6A2CHRM1
SCHEMBL6284126 0.90 NR5A1 (0.55) LTA4HNR5A1ADORA3SLC6A2CHRM1

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 LTA4H 4503/4885NR5A1 160/4885ADORA3 4774/4885

“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.