SCHEMBL6284380

SCHEMBL6284380

CCCCCC1CCC(COc2ccc(CCn3c(C)ccc3-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.36
SLC6A2 P23975 3/20 0.36
CHRM1 P11229 2/20 0.36
PTGS1 P23219 2/20 0.36
PGR P06401 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
PDE4B Q07343 1/20 0.36
NR5A1 Q13285 1/20 0.36
FFAR1 O14842 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL6288279 0.90 HRH3 (0.42) FFAR1KDM4ELMNALTA4HPTPN1
SCHEMBL6287179 0.86 PARP15 (0.40) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6282175 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6279210 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6282811 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6284126 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6286592 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6283193 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6284352 0.84 NR5A1 (0.55) ADORA3SLC6A2CHRM1PTGS1PGR
SCHEMBL6284364 0.83 PTPN1 (0.41) NR5A1KDM4EALDH1A1LTA4HPTPN1

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 ADORA3 4774/4885SLC6A2 4691/4885CHRM1 2918/4885

“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.