SCHEMBL1730499

SCHEMBL1730499

COCC(CC(C)(C)O)OC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10017815 0.80
SCHEMBL51157 0.73
SCHEMBL14007344 0.71
SCHEMBL5719 0.71
SCHEMBL6041979 0.71
SCHEMBL924218 0.69
SCHEMBL2775798 0.69 ALDH1A1 (0.35)
SCHEMBL18354562 0.68 MAPK1 (0.42)
SCHEMBL14968999 0.68 MAPK1 (0.42)
SCHEMBL10456912 0.68 MAPT (0.32)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20040254376-A1 Cyclic amidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-16 US disclosed
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 US disclosed
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1391456-A1 2-IMINOIMIDAZOLE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1386912-A1 CYCLIC AMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2004-02-04 EP disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO 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 (5 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP2C9 415/4885TSHR 909/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP2C9 406/4885TSHR 911/4885
US-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 CYP2C9 798/4885TSHR 1625/4885
US-20040254376-A1 Cyclic amidine derivative ARGLU1, ARG1, PRMT1 CYP2C9 2149/4885TSHR 265/4885
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 CYP2C9 971/4885TSHR 205/4885

“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.