SCHEMBL6282808

SCHEMBL6282808

CCCc1ccc(-c2ccc(Cn3c(C)ccc3-c3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
FFAR1 O14842 2/20 0.44
RAB9A P51151 1/20 0.43
BCHE P06276 3/20 0.43
MMP12 P39900 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
KLK1 P06870 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
SCHEMBL6285809 0.92 NPC1 (0.48) NPC1TP53KDM4EMEN1ALDH1A1
SCHEMBL6285939 0.91 MAPT (0.49) NPC1TP53KDM4EMEN1ALDH1A1
SCHEMBL6279756 0.90 HRH3 (0.51) NPC1TP53KDM4EMEN1ALDH1A1
SCHEMBL6282846 0.82 PTPN1 (0.48) HRH3BCHELTA4HEPHX2
SCHEMBL6285745 0.82 PTPN1 (0.48) HRH3BCHELTA4HEPHX2
SCHEMBL6283361 0.81 PTPN1 (0.49) HRH3BCHELTA4HEPHX2
SCHEMBL6285256 0.81 PTPN1 (0.49) HRH3BCHELTA4HEPHX2
SCHEMBL6286719 0.81 PTPN1 (0.49) HRH3BCHELTA4HEPHX2
SCHEMBL6284001 0.81 BCHE (0.46) NPC1TP53SMN1; SMN2HRH3RAB9A
SCHEMBL6287181 0.80 PTPN1 (0.44) HRH3BCHELTA4HEPHX2

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 NPC1 4779/4885TP53 1886/4885KDM4E 171/4885

“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.