SCHEMBL6283320

SCHEMBL6283320

Cc1ccc(-c2ccc(OCc3ccccc3)cc2)n1CCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
LTA4H P09960 9/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL6286400 0.92 HRH3 (0.46) HRH3LTA4HL3MBTL1LMNAPGR
SCHEMBL6284001 0.89 BCHE (0.46) HRH3LTA4HL3MBTL1NPC1RAB9A
SCHEMBL6278803 0.88 PTPN1 (0.46) HRH3LTA4HL3MBTL1PGRADORA3
SCHEMBL6286398 0.87 LTA4H (0.48) HRH3LTA4HPGRADORA3CHRM1
SCHEMBL6279317 0.87 PTPN1 (0.48) HRH3LTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL6284396 0.87 PTPN1 (0.48) HRH3LTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL6286274 0.87 PTPN1 (0.48) HRH3LTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL6279534 0.85 LTA4H (0.51) LTA4HNPC1RAB9ALMNATP53
SCHEMBL6283221 0.85 LTA4H (0.46) HRH3LTA4HL3MBTL1
SCHEMBL6285790 0.85 PTPN1 (0.46) HRH3LTA4HPGRADORA3CHRM1

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 1166/4885LTA4H 4503/4885L3MBTL1 1502/4885

“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.