SCHEMBL6286714

SCHEMBL6286714

CCCCCCc1ccc(C(C)n2c(C)ccc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
BCHE P06276 4/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
MGLL Q99685 2/20 0.42
HTR2A P28223 1/20 0.40

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
SCHEMBL6285744 0.99 PTPN1 (0.47) PTPN1BCHEHRH3SIGMAR1LTA4H
SCHEMBL6283355 0.89 PTPN1 (0.50) PTPN1BCHEHRH3SIGMAR1LTA4H
SCHEMBL6285254 0.89 PTPN1 (0.50) PTPN1BCHEHRH3SIGMAR1LTA4H
SCHEMBL6282841 0.88 PTPN1 (0.49) PTPN1BCHEHRH3SIGMAR1LTA4H
SCHEMBL6279694 0.83 ESR1 (0.52) PTPN1HTR2A
SCHEMBL6279184 0.82 PTPN1 (0.73) PTPN1
SCHEMBL6278957 0.82 ESR1 (0.50) PTPN1HRH3HTR2A
SCHEMBL6286719 0.81 PTPN1 (0.49) PTPN1BCHEHRH3LTA4HEPHX2
SCHEMBL6283361 0.81 PTPN1 (0.49) PTPN1BCHEHRH3LTA4HEPHX2
SCHEMBL6287247 0.81 PTPN1 (0.67) PTPN1BCHEHRH3LTA4HEPHX2

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 2/4885BCHE 4082/4885HRH3 1166/4885

“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.