SCHEMBL6282844

SCHEMBL6282844

CCCCCCCOc1ccc(-n2c(C)ccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.60
LTA4H P09960 4/20 0.54
PTPN1 P18031 1/20 0.49
RARB P10826 3/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH2 P05091 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41
NR4A1 P22736 1/20 0.41
APEX1 P27695 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
SCHEMBL6279523 1.00 NR5A1 (0.60) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6283222 1.00 NR5A1 (0.60) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6285365 0.87 NR5A1 (0.49) NR5A1LTA4HPTPN1KDM4EALDH1A1
SCHEMBL6285972 0.86 PTPN1 (0.56) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6282177 0.86 PTPN1 (0.56) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6279323 0.86 PTPN1 (0.56) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6279663 0.86 PTPN1 (0.56) NR5A1LTA4HPTPN1RARBKDM4E
SCHEMBL6288297 0.85 PTPN1 (0.57) NR5A1PTPN1KDM4EALDH1A1MAPT
SCHEMBL6279204 0.83 PTPN1 (0.56) PTPN1KDM4EALDH1A1MAPTCYP1A2
SCHEMBL6287275 0.82 PTPN1 (0.59) PTPN1RARBKDM4EALDH1A1MAPT

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 NR5A1 160/4885LTA4H 4503/4885PTPN1 2/4885

“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.