SCHEMBL6295804

SCHEMBL6295804

CC(C)COc1ccc(-c2cc(N)ccc2Oc2ccc3cc(C#N)ccc3c2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SCN9A Q15858 7/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ABL1 P00519 1/20 0.33
XDH P47989 1/20 0.32
GAA P10253 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
FFAR1 O14842 2/20 0.32
TBXA2R P21731 2/20 0.32

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
SCHEMBL6300609 0.87 PYGL (0.38) ALDH1A1MAPTSCN9AAAK1GAA
SCHEMBL6295767 0.84 SCN9A (0.42) SCN9ATBXA2R
SCHEMBL6294691 0.83 SCN9A (0.41) SCN9ATBXA2R
SCHEMBL6296053 0.83 AR (0.39) ALDH1A1KDM4ESCN9ATBXA2R
SCHEMBL6296004 0.81 SCN9A (0.40) SCN9AFFAR1TBXA2R
SCHEMBL6294985 0.79 SCN9A (0.39) ALDH1A1SCN9ATBXA2R
SCHEMBL6294970 0.78 SCN9A (0.41) SCN9AFFAR1TBXA2R
SCHEMBL6294668 0.76 SCN9A (0.42) SCN9ATBXA2R
SCHEMBL6300656 0.76 F3 (0.42) KDM4ENPSR1SCN9A
SCHEMBL6294705 0.76 SCN9A (0.47) SCN9ATBXA2R

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-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 ALDH1A1 1785/4885KDM4E 3778/4885MAPT 4849/4885

“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.