SCHEMBL6286409

SCHEMBL6286409

CCCCCCCCCCCCOc1ccc(CCn2c(C)ccc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
HRH3 Q9Y5N1 4/20 0.44
BACE1 P56817 1/20 0.43
BCHE P06276 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
LTA4H P09960 2/20 0.41
EPHX2 P34913 1/20 0.41
HMOX1 P09601 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
SCHEMBL6278914 1.00 PTPN1 (0.44) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6279173 1.00 PTPN1 (0.44) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6287204 1.00 PTPN1 (0.44) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6287181 1.00 PTPN1 (0.44) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6285790 0.95 PTPN1 (0.46) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6286719 0.95 PTPN1 (0.49) PTPN1HRH3BCHELTA4HEPHX2
SCHEMBL6285745 0.94 PTPN1 (0.48) PTPN1HRH3BCHELTA4HEPHX2
SCHEMBL6283221 0.94 LTA4H (0.46) HRH3BCHELTA4HEPHX2HMOX1
SCHEMBL6279317 0.93 PTPN1 (0.48) PTPN1HRH3BACE1BCHEPGR
SCHEMBL6284396 0.93 PTPN1 (0.48) PTPN1HRH3BACE1BCHEPGR

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 PTPN1 2/4885HRH3 1166/4885BACE1 3229/4885

“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.