SCHEMBL6282212

SCHEMBL6282212

CCCCC1CCC(COc2ccc(-n3c(C)ccc3-c3ccc(OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
PTGER1 P34995 5/20 0.39
PKM P14618 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FDFT1 P37268 1/20 0.38
FFAR1 O14842 3/20 0.37
PPARD Q03181 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6279655 0.97 PTPN1 (0.47) PTPN1PTGER1PKMNPC1RAB9A
SCHEMBL6286004 0.94 PTPN1 (0.42) PTPN1PTGER1PKMNPC1RAB9A
SCHEMBL6284334 0.88 PTPN1 (0.40) PTPN1PTGER1PKMALDH1A1MAPT
SCHEMBL6284364 0.85 PTPN1 (0.41) PTPN1PTGER1PKMALDH1A1MAPT
SCHEMBL6284044 0.84 PTPN1 (0.68) PTPN1
SCHEMBL6288279 0.82 HRH3 (0.42) PTPN1FDFT1FFAR1KCNH2KDM4E
SCHEMBL6284481 0.82 PTPN1 (0.70) PTPN1
SCHEMBL6279867 0.82 MAPT (0.38) PTPN1PTGER1PKMALDH1A1MAPT
SCHEMBL6279323 0.81 PTPN1 (0.56) PTPN1PTGER1PKMNPC1RAB9A
SCHEMBL6285972 0.81 PTPN1 (0.56) PTPN1PTGER1PKMNPC1RAB9A

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 2/4885PTGER1 3484/4885PKM 2978/4885

“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.