SCHEMBL697753

SCHEMBL697753

C[CH]OC(=O)C(C)C1CCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL697474 0.96 EPHX1 (0.33) THRBCA12CA1CA2MMP2
SCHEMBL4005670 0.94 EPHX1 (0.36) CA12CA1CA2MMP2CA9
SCHEMBL696390 0.92 ALOX5 (0.32)
SCHEMBL8655539 0.78 EPHX1 (0.36) CA12CA1CA2MMP2CA9
SCHEMBL8030743 0.77 ALDH1A1 (0.40) CA12CA1CA2MMP2CA9
SCHEMBL15776933 0.77 THRB (0.46) THRBCA12CA1CA2MMP2
SCHEMBL697823 0.74
SCHEMBL11843181 0.74 EPHX1 (0.38) THRBCA12CA1CA2MMP2
SCHEMBL10557463 0.72 EPHX1 (0.41) CA12CA1CA2MMP2CA9
SCHEMBL11443344 0.72 THRB (0.46) THRBCA12CA1CA2MMP2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 THRB 2959/4885CA12 3863/4885CA1 3378/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 THRB 2959/4885CA12 3863/4885CA1 3378/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 THRB 2959/4885CA12 3863/4885CA1 3378/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 THRB 2959/4885CA12 3863/4885CA1 3378/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 THRB 455/4885CA12 4846/4885CA1 4838/4885

“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.